N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
TL;DR: N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (CAS 393566-11-5) is a chemical compound with molecular formula C13H15N3OS2 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide, 2-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide, 2-methyl-N-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, N-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-o-toluamide, 2-Methyl-N-{5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
| Molecular Formula | C13H15N3OS2 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 3.59932 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.06564 |
| Heavy Atoms | 19 |
| Complexity | 580.7722 |
Chemical Identifiers
| CAS Number | 393566-11-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=NN=C(S2)SC(C)C |
Product Overview
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (CAS 393566-11-5), with molecular formula C13H15N3OS2 and molecular weight 293.07 g/mol. IUPAC: 2-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
Property Insights of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
The XLogP value of 3.59932 indicates that N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide has 1 hydrogen bond donor(s) and 5 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-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The CAS number of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is 393566-11-5.
What is the molecular formula of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The molecular formula of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is C13H15N3OS2.
What is the molecular weight of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The molecular weight of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is 293.07 g/mol.
Where can I buy N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
You can request a quote for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.