5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile
TL;DR: 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile (CAS 1274948-16-1) is a chemical compound with molecular formula C17H10F3N5OS and molecular weight 389.05582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-2-oxo-5-(thiophen-2-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
Also Known As: 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile, 6-amino-2-oxo-5-(thiophen-2-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
Technical Specifications
| Molecular Formula | C17H10F3N5OS |
| Molecular Weight | 389.05582 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.05582 Da |
| Heavy Atoms | 27 |
| Complexity | 751.0 |
| SMILES | C1=CC(=CC(=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=CS3)N)C(F)(F)F |
| InChIKey | HRNPPSSWNUITLO-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile
Property Insights of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile
The XLogP value of 3.1 indicates that 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile. Following Lipinski's Rule of Five, 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile?
The CAS number of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile is 1274948-16-1.
What is the molecular formula of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile?
The molecular formula of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile is C17H10F3N5OS.
What is the molecular weight of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile?
The molecular weight of 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile is 389.05582 g/mol.
Where can I buy 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile?
You can request a quote for 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-(1-Aza-2-(2-thienyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.