5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
TL;DR: 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CAS 113940-13-9) is a chemical compound with molecular formula C10H8ClN3OS and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Also Known As: 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide, 1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-phenyl-, METHYL3-HYDROXYQUINUCLIDINE-3-CARBOXYLATE, 1,3,4-Thiadiazole-2-carboxamide,5-(chloromethyl)-N-phenyl-, [1,3,4]Thiadiazole-2-carboxylic acid, 5-chloromethyl-, phenylamide
| Molecular Formula | C10H8ClN3OS |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 2.5292 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.00766 |
| Heavy Atoms | 16 |
| Complexity | 485.81918 |
Chemical Identifiers
| CAS Number | 113940-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CCl |
Product Overview
5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CAS 113940-13-9), with molecular formula C10H8ClN3OS and molecular weight 253.01 g/mol. IUPAC: 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
Chemical Property Profile of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Property Insights of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
The XLogP value of 2.5292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide. With a topological polar surface area (TPSA) of 54.88 Ų, 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide has 1 hydrogen bond donor(s) and 4 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 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The CAS number of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide is 113940-13-9.
What is the molecular formula of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The molecular formula of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide is C10H8ClN3OS.
What is the molecular weight of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The molecular weight of 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide is 253.01 g/mol.
Where can I buy 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
You can request a quote for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.