![2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide structure](/static/products/6909/690971-78-9.webp)
2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide
TL;DR: 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide (CAS 690971-78-9) is a chemical compound with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide
Also Known As: 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide, 2-methyl-3-nitro-N-((4-(p-tolyl)thiazol-2-yl)carbamothioyl)benzamide, 2-methyl-N-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl}-3-nitrobenzamide
| Molecular Formula | C19H16N4O3S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 4.46194 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.06638 |
| Heavy Atoms | 28 |
| Complexity | 1061.2957 |
Chemical Identifiers
| CAS Number | 690971-78-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C |
Product Overview
2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide (CAS 690971-78-9), with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol. IUPAC: 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide
Property Insights of 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide
The XLogP value of 4.46194 indicates that 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide?
The CAS number of 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide is 690971-78-9.
What is the molecular formula of 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide?
The molecular formula of 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide is C19H16N4O3S2.
What is the molecular weight of 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide?
The molecular weight of 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide is 412.07 g/mol.
Where can I buy 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide?
You can request a quote for 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.