N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
TL;DR: N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 403726-89-6) is a chemical compound with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(4-ethoxyphenyl)-N-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Also Known As: N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide, 4-amino-3-(4-ethoxyphenyl)-N-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide, 4-amino-3-(4-ethoxyphenyl)-N-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide, 4-amino-3-(4-ethoxyphenyl)-N-(prop-2-en-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
| Molecular Formula | C15H17N3O2S2 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 3.16499 |
| Topological Polar Surface Area | 69.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.07623 |
| Heavy Atoms | 22 |
| Complexity | 732.2361 |
Chemical Identifiers
| CAS Number | 403726-89-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC=C)N |
Product Overview
N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 403726-89-6), with molecular formula C15H17N3O2S2 and molecular weight 335.08 g/mol. IUPAC: 4-amino-3-(4-ethoxyphenyl)-N-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
Chemical Property Profile of N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Property Insights of N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
The XLogP value of 3.16499 indicates that N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.28 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide has 2 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-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The CAS number of N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 403726-89-6.
What is the molecular formula of N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular formula of N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is C15H17N3O2S2.
What is the molecular weight of N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular weight of N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 335.08 g/mol.
Where can I buy N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
You can request a quote for N-allyl-4-amino-3-(4-ethoxyphenyl)-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 N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.