N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide
TL;DR: N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide (CAS 1050653-48-9) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-ethylthiadiazole-5-carboxamide
Also Known As: N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide, N-benzyl-4-ethylthiadiazole-5-carboxamide
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.0305 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 495.46167 |
Chemical Identifiers
| CAS Number | 1050653-48-9 |
|---|---|
| SMILES | CCC1=C(SN=N1)C(=O)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide (CAS 1050653-48-9), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: N-benzyl-4-ethylthiadiazole-5-carboxamide.
Chemical Property Profile of N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide
Property Insights of N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide
The XLogP value of 2.0305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide. With a topological polar surface area (TPSA) of 54.88 Ų, N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-4-ethyl-1,2,3-thiadiazole-5-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-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The CAS number of N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide is 1050653-48-9.
What is the molecular formula of N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The molecular formula of N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide is C12H13N3OS.
What is the molecular weight of N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The molecular weight of N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide is 247.08 g/mol.
Where can I buy N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
You can request a quote for N-benzyl-4-ethyl-1,2,3-thiadiazole-5-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-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-ethyl-1,2,3-thiadiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.