4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide
TL;DR: 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide (CAS 605629-34-3) is a chemical compound with molecular formula C16H21N3S2 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide
Also Known As: ASN 06580337, 1-Piperidinecarbothioamide,4-(2-benzothiazolyl)-N-propyl-(9CI), 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide, 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid propylamide, 1-PIPERIDINECARBOTHIOAMIDE, 4-(2-BENZOTHIAZOLYL)-N-PROPYL-
| Molecular Formula | C16H21N3S2 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.7602 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.11768 |
| Heavy Atoms | 21 |
| Complexity | 581.7645 |
Chemical Identifiers
| CAS Number | 605629-34-3 |
|---|---|
| SMILES | CCCNC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3S2 |
Product Overview
4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide (CAS 605629-34-3), with molecular formula C16H21N3S2 and molecular weight 319.12 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide
Property Insights of 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide
The XLogP value of 3.7602 indicates that 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.16 Ų, 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide?
The CAS number of 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide is 605629-34-3.
What is the molecular formula of 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide?
The molecular formula of 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide is C16H21N3S2.
What is the molecular weight of 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide?
The molecular weight of 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide is 319.12 g/mol.
Where can I buy 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide?
You can request a quote for 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzothiazol-2-yl)-N-propylpiperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.