3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
TL;DR: 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione (CAS 403726-77-2) is a chemical compound with molecular formula C12H17N3OS2 and molecular weight 283.08 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)-piperidin-1-ylmethanone
Also Known As: ChemDiv2_007946, IDI1_006661, 3-allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione, AS-871/41898400, (4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
| Molecular Formula | C12H17N3OS2 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.67339 |
| Topological Polar Surface Area | 51.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0813 |
| Heavy Atoms | 18 |
| Complexity | 511.88248 |
Chemical Identifiers
| CAS Number | 403726-77-2 |
|---|---|
| SMILES | C=CCN1C(=C(SC1=S)C(=O)N2CCCCC2)N |
Product Overview
3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione (CAS 403726-77-2), with molecular formula C12H17N3OS2 and molecular weight 283.08 g/mol. IUPAC: (4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.
Chemical Property Profile of 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
Property Insights of 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
The XLogP value of 2.67339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 51.26 Ų, 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione has 1 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-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione?
The CAS number of 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione is 403726-77-2.
What is the molecular formula of 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione?
The molecular formula of 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione is C12H17N3OS2.
What is the molecular weight of 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione?
The molecular weight of 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione is 283.08 g/mol.
Where can I buy 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione?
You can request a quote for 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-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-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.