4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
TL;DR: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CAS 877789-91-8) is a chemical compound with molecular formula C14H15N3O3S2 and molecular weight 337.06 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-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Also Known As: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide, 4-amino-3-ethyl-N-piperonyl-2-thioxo-4-thiazoline-5-carboxamide, 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-5-thiazolecarboxamide, 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide, 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
| Molecular Formula | C14H15N3O3S2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.05548 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 877789-91-8 |
|---|---|
| SMILES | CCN1C(=C(SC1=S)C(=O)NCC2=CC3=C(C=C2)OCO3)N |
| InChIKey | ZTGJWUHGCGIEIZ-UHFFFAOYSA-N |
Product Overview
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CAS 877789-91-8), with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol. IUPAC: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Property Insights of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has 2 hydrogen bond donor(s) and 6 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-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The CAS number of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is 877789-91-8.
What is the molecular formula of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The molecular formula of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is C14H15N3O3S2.
What is the molecular weight of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The molecular weight of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is 337.06 g/mol.
Where can I buy 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
You can request a quote for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-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-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.