2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole
TL;DR: 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole (CAS 1027513-92-3) is a chemical compound with molecular formula C12H11N3S and molecular weight 229.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-5-(1-methylpyrazol-4-yl)-1,3-benzothiazole
Also Known As: 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole, 2-methyl-5-(1-methylpyrazol-4-yl)benzothiazole, 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole
Technical Specifications
| Molecular Formula | C12H11N3S |
| Molecular Weight | 229.06737 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.06737 Da |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
| SMILES | CC1=NC2=C(S1)C=CC(=C2)C3=CN(N=C3)C |
| InChIKey | VBXYGIIQOLDHBI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole
Property Insights of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole. With a topological polar surface area (TPSA) of 59.0 Ų, 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole?
The CAS number of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole is 1027513-92-3.
What is the molecular formula of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole?
The molecular formula of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole is C12H11N3S.
What is the molecular weight of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole?
The molecular weight of 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole is 229.06737 g/mol.
Where can I buy 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole?
You can request a quote for 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5-(1-methyl-1H-pyrazol-4-yl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.