3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
TL;DR: 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 618076-58-7) is a chemical compound with molecular formula C13H14N4OS2 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-prop-2-enyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Also Known As: 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide, 4-amino-3-prop-2-enyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide, 4-amino-3-(prop-2-en-1-yl)-N-(pyridin-3-ylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide, 645-380-4, RefChem:496622
| Molecular Formula | C13H14N4OS2 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.0609 |
| Heavy Atoms | 20 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 618076-58-7 |
|---|---|
| SMILES | C=CCN1C(=C(SC1=S)C(=O)NCC2=CN=CC=C2)N |
| InChIKey | ULWXRHPFQDSCDG-UHFFFAOYSA-N |
Product Overview
3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide (CAS 618076-58-7), with molecular formula C13H14N4OS2 and molecular weight 306.06 g/mol. IUPAC: 4-amino-3-prop-2-enyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
Chemical Property Profile of 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Property Insights of 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide. Following Lipinski's Rule of Five, 3-allyl-4-amino-N-(3-pyridinylmethyl)-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 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The CAS number of 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 618076-58-7.
What is the molecular formula of 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular formula of 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is C13H14N4OS2.
What is the molecular weight of 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
The molecular weight of 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide is 306.06 g/mol.
Where can I buy 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
You can request a quote for 3-allyl-4-amino-N-(3-pyridinylmethyl)-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-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-4-amino-N-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.