![N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide structure](/static/products/956/956374-51-9.png)
N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
TL;DR: N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide (CAS 956374-51-9) is a chemical compound with molecular formula C13H13F3N6OS2 and molecular weight 390.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-3-prop-2-enylthiourea
Also Known As: N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide, 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-{[(prop-2-en-1-yl)carbamothioyl]amino}-1,3-thiazole-4-carboxamide, 1-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-3-prop-2-enylthiourea, 1-allyl-3-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carbonyl]amino]thiourea, N-Allyl-2-({2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
| Molecular Formula | C13H13F3N6OS2 |
|---|---|
| Molecular Weight | 390.05 g/mol |
| LogP | 1.95092 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.05444 |
| Heavy Atoms | 25 |
| Complexity | 798.02985 |
Chemical Identifiers
| CAS Number | 956374-51-9 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)NNC(=S)NCC=C |
Product Overview
N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide (CAS 956374-51-9), with molecular formula C13H13F3N6OS2 and molecular weight 390.05 g/mol. IUPAC: 1-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
Property Insights of N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
The XLogP value of 1.95092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide has 3 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-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide?
The CAS number of N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide is 956374-51-9.
What is the molecular formula of N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide?
The molecular formula of N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide is C13H13F3N6OS2.
What is the molecular weight of N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide?
The molecular weight of N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide is 390.05 g/mol.
Where can I buy N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide?
You can request a quote for N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.