N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide
TL;DR: N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide (CAS 875160-23-9) is a chemical compound with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide
Also Known As: N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide, J2.534.845A, 1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-(phenylmethyl), 999-487-9, RefChem:829186
| Molecular Formula | C11H10ClN3OS |
|---|---|
| Molecular Weight | 267.02 g/mol |
| LogP | 2.2069 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.02332 |
| Heavy Atoms | 17 |
| Complexity | 500.42746 |
Chemical Identifiers
| CAS Number | 875160-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CCl |
Product Overview
N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide (CAS 875160-23-9), with molecular formula C11H10ClN3OS and molecular weight 267.02 g/mol. IUPAC: N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide.
Chemical Property Profile of N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide
Property Insights of N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide
The XLogP value of 2.2069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide. With a topological polar surface area (TPSA) of 54.88 Ų, N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-5-(chloromethyl)-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 N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide?
The CAS number of N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide is 875160-23-9.
What is the molecular formula of N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide?
The molecular formula of N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide is C11H10ClN3OS.
What is the molecular weight of N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide?
The molecular weight of N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide is 267.02 g/mol.
Where can I buy N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide?
You can request a quote for N-benzyl-5-(chloromethyl)-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 N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.