3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile
TL;DR: 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile (CAS 247571-52-4) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-imino-3-prop-2-enyl-1,3-thiazole-4-carbonitrile
Also Known As: 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile, BAS 01053576, 3-allyl-5-amino-2-imino-4-thiazoline-4-carbonitrile, 5-amino-2-imino-3-prop-2-enyl-1,3-thiazole-4-carbonitrile, 5-amino-2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazole-4-carbonitrile
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 247571-52-4 |
|---|---|
| SMILES | C=CCN1C(=C(SC1=N)N)C#N |
| InChIKey | FCKSEFDXIKSQQK-UHFFFAOYSA-N |
Product Overview
3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile (CAS 247571-52-4), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 5-amino-2-imino-3-prop-2-enyl-1,3-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile
Property Insights of 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile 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-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile?
The CAS number of 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile is 247571-52-4.
What is the molecular formula of 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile?
The molecular formula of 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile is C7H8N4S.
What is the molecular weight of 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile?
The molecular weight of 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile is 180.05 g/mol.
Where can I buy 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile?
You can request a quote for 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.