(5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide
TL;DR: (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide (CAS 1095911-58-2) is a chemical compound with molecular formula C14H13N5O2S2 and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-5-methylphenyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
Also Known As: (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide, 3-(2-hydroxy-5-methylphenyl)-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide, 3-(2-hydroxy-5-methylphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-5-carboxamide, 5-(2-hydroxy-5-methylphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide, 5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide
| Molecular Formula | C14H13N5O2S2 |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 2.91642 |
| Topological Polar Surface Area | 103.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.05106 |
| Heavy Atoms | 23 |
| Complexity | 858.4821 |
Chemical Identifiers
| CAS Number | 1095911-58-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C2=NNC(=C2)C(=O)NC3=NN=C(S3)SC |
Product Overview
(5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide (CAS 1095911-58-2), with molecular formula C14H13N5O2S2 and molecular weight 347.05 g/mol. IUPAC: 3-(2-hydroxy-5-methylphenyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide.
Chemical Property Profile of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide
Property Insights of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide
The XLogP value of 2.91642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide. The TPSA of 103.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide. Following Lipinski's Rule of Five, (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide has 3 hydrogen bond donor(s) and 7 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 (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide?
The CAS number of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide is 1095911-58-2.
What is the molecular formula of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide?
The molecular formula of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide is C14H13N5O2S2.
What is the molecular weight of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide?
The molecular weight of (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide is 347.05 g/mol.
Where can I buy (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide?
You can request a quote for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.