4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
TL;DR: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 850188-63-5) is a chemical compound with molecular formula C19H17N3O4S2 and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Also Known As: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide, 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide, 4-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxamide
| Molecular Formula | C19H17N3O4S2 |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 3.51779 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.06604 |
| Heavy Atoms | 28 |
| Complexity | 1089.5485 |
Chemical Identifiers
| CAS Number | 850188-63-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC4=C(C=C3)OCO4)N |
Product Overview
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 850188-63-5), with molecular formula C19H17N3O4S2 and molecular weight 415.07 g/mol. IUPAC: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Property Insights of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
The XLogP value of 3.51779 indicates that 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-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 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide has 2 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 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The CAS number of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 850188-63-5.
What is the molecular formula of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular formula of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is C19H17N3O4S2.
What is the molecular weight of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular weight of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 415.07 g/mol.
Where can I buy 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
You can request a quote for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-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 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.