N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
TL;DR: N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide (CAS 606101-95-5) 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-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
Also Known As: ASN 06744198, N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide, N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide, [1,2,3]Thiadiazole-4-carboxylic acid (4-isopropyl-phenyl)-amide, 1,2,3-thiadiazole-4-carboxamide,n-[4-(1-methylethyl)phenyl]-
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 606101-95-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C2=CSN=N2 |
| InChIKey | MWGIOCHDRCEZFP-UHFFFAOYSA-N |
Product Overview
N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide (CAS 606101-95-5), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide.
Chemical Property Profile of N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
Property Insights of N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide. Following Lipinski's Rule of Five, N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-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-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide?
The CAS number of N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide is 606101-95-5.
What is the molecular formula of N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide?
The molecular formula of N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide is C12H13N3OS.
What is the molecular weight of N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide?
The molecular weight of N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide is 247.08 g/mol.
Where can I buy N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide?
You can request a quote for N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.