1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide
TL;DR: 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide (CAS 700852-28-4) is a chemical compound with molecular formula C10H8N6OS and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(1,3,4-thiadiazol-2-yl)benzotriazole-5-carboxamide
Also Known As: BAS 07214156, 1-methyl-N-(1,3,4-thiadiazol-2-yl)benzotriazole-5-carboxamide, 1-Methyl-1H-benzotriazole-5-carboxylic acid [1,3,4]thiadiazol-2-ylamide, 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide, 1H-Benzotriazole-5-carboxamide, 1-methyl-N-1,3,4-thiadiazol-2-yl- (9CI)
| Molecular Formula | C10H8N6OS |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 1.0721 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.04803 |
| Heavy Atoms | 18 |
| Complexity | 704.3125 |
Chemical Identifiers
| CAS Number | 700852-28-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)NC3=NN=CS3)N=N1 |
Product Overview
1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide (CAS 700852-28-4), with molecular formula C10H8N6OS and molecular weight 260.05 g/mol. IUPAC: 1-methyl-N-(1,3,4-thiadiazol-2-yl)benzotriazole-5-carboxamide.
Chemical Property Profile of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide
Property Insights of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide
The XLogP value of 1.0721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide. Following Lipinski's Rule of Five, 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide?
The CAS number of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide is 700852-28-4.
What is the molecular formula of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide?
The molecular formula of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide is C10H8N6OS.
What is the molecular weight of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide?
The molecular weight of 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide is 260.05 g/mol.
Where can I buy 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide?
You can request a quote for 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-1,3,4-thiadiazol-2-yl-1H-1,2,3-benzotriazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.