N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
TL;DR: N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide (CAS 838867-70-2) is a chemical compound with molecular formula C18H14N6OS and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide, N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
| Molecular Formula | C18H14N6OS |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 3.0887 |
| Topological Polar Surface Area | 96.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.09497 |
| Heavy Atoms | 26 |
| Complexity | 945.4801 |
Chemical Identifiers
| CAS Number | 838867-70-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NN=C(S3)NC(=O)C4=NC=NN4 |
Product Overview
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide (CAS 838867-70-2), with molecular formula C18H14N6OS and molecular weight 362.09 g/mol. IUPAC: N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
Property Insights of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 3.0887 indicates that N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide has 2 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 N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide is 838867-70-2.
What is the molecular formula of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide is C18H14N6OS.
What is the molecular weight of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide is 362.09 g/mol.
Where can I buy N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.