4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CAS 544690-34-8) 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.
4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 4-isopropyl-N-(1,3,4-thiadiazol-2-yl)benzamide, 2-amino-4-(benzothiazol-2-yl)thiazole, 4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)benzamide, 4-(propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide, Benzamide,4- -N-1,3,4-thiadiazol-2-yl-
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.9138 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 490.9791 |
Chemical Identifiers
| CAS Number | 544690-34-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)NC2=NN=CS2 |
Product Overview
4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CAS 544690-34-8), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 2.9138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide. With a topological polar surface area (TPSA) of 54.88 Ų, 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide 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 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is 544690-34-8.
What is the molecular formula of 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is C12H13N3OS.
What is the molecular weight of 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is 247.08 g/mol.
Where can I buy 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Propan-2-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.