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N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide structure
Fine Chemical

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

TL;DR: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (CAS 1005586-26-4) is a chemical compound with molecular formula C14H16ClF3N4OS3 and molecular weight 444.0127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

Also Known As: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide, (3,5-dimethylthioisothiazol-4-yl)-N-{3-[4-chloro-5-methyl-3-(trifluoromethyl)p yrazolyl]propyl}carboxamide, N-{3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide, N-{3-[4-CHLORO-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]PROPYL}-3,5-BIS(METHYLSULFANYL)-4-ISOTHIAZOLECARBOXAMIDE

CAS Number
1005586-26-4
Molecular Formula
C14H16ClF3N4OS3
Molecular Weight
444.0127 g/mol
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Technical Specifications

Molecular FormulaC14H16ClF3N4OS3
Molecular Weight444.0127 g/mol
XLogP4.2
Topological Polar Surface Area (TPSA)139.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors9
Rotatable Bonds7
Exact Mass444.0127 Da
Heavy Atoms26
Complexity491.0
SMILESCC1=C(C(=NN1CCCNC(=O)C2=C(SN=C2SC)SC)C(F)(F)F)Cl
InChIKeyHTSNSSIORMDUQH-UHFFFAOYSA-N

Chemical Property Profile of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

XLogP
4.2
TPSA (Topological Polar Surface Area)
139.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
Rotatable Bonds
7
Heavy Atoms
26
Complexity
491.0
Exact Mass
444.0127
Monoisotopic Mass
444.0127
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

The XLogP value of 4.2 indicates that N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide. Following Lipinski's Rule of Five, N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?

The CAS number of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is 1005586-26-4.

What is the molecular formula of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?

The molecular formula of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is C14H16ClF3N4OS3.

What is the molecular weight of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?

The molecular weight of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is 444.0127 g/mol.

Where can I buy N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?

You can request a quote for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?

Yes, CoreyChem provides custom synthesis services for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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