3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
TL;DR: 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 618072-98-3) is a chemical compound with molecular formula C9H13N3OS2 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-ethyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Also Known As: 4-amino-N-ethyl-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide, 3-allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide, 4-amino-N-ethyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide, 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxamide, (4-amino-3-prop-2-enyl-2-thioxo(1,3-thiazolin-5-yl))-N-ethylcarboxamide
| Molecular Formula | C9H13N3OS2 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.05 |
| Heavy Atoms | 15 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 618072-98-3 |
|---|---|
| SMILES | CCNC(=O)C1=C(N(C(=S)S1)CC=C)N |
| InChIKey | ZYSOTOGHZLJIGB-UHFFFAOYSA-N |
Product Overview
3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 618072-98-3), with molecular formula C9H13N3OS2 and molecular weight 243.05 g/mol. IUPAC: 4-amino-N-ethyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Property Insights of 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide has 2 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 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The CAS number of 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 618072-98-3.
What is the molecular formula of 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular formula of 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is C9H13N3OS2.
What is the molecular weight of 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular weight of 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 243.05 g/mol.
Where can I buy 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
You can request a quote for 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-4-amino-N-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.