3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione
TL;DR: 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione (CAS 618073-01-1) is a chemical compound with molecular formula C12H18N4OS2 and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
Also Known As: SALOR-INT L422703-1EA, AS-871/41898402, 3-allyl-4-amino-5-[(4-methyl-1-piperazinyl)carbonyl]-1,3-thiazole-2(3H)-thione, (4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone, 3-ALLYL-4-AMINO-5-((4-METHYL-1-PIPERAZINYL)CARBONYL)-1,3-THIAZOLE-2(3H)-THIONE
| Molecular Formula | C12H18N4OS2 |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0922 |
| Heavy Atoms | 19 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 618073-01-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=C(N(C(=S)S2)CC=C)N |
| InChIKey | NJNYCORKGJMPCH-UHFFFAOYSA-N |
Product Overview
3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione (CAS 618073-01-1), with molecular formula C12H18N4OS2 and molecular weight 298.09 g/mol. IUPAC: (4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione
Property Insights of 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione. Following Lipinski's Rule of Five, 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione has 1 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-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione?
The CAS number of 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione is 618073-01-1.
What is the molecular formula of 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione?
The molecular formula of 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione is C12H18N4OS2.
What is the molecular weight of 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione?
The molecular weight of 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione is 298.09 g/mol.
Where can I buy 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione?
You can request a quote for 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione 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-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-4-amino-5-((4-methyl-1-piperazinyl)carbonyl)-1,3-thiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.