4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide
TL;DR: 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide (CAS 605629-14-9) is a chemical compound with molecular formula C21H23N3S2 and molecular weight 381.13 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-(3,5-dimethylphenyl)piperidine-1-carbothioamide
Also Known As: ASN 06580307, 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide, 1-PIPERIDINECARBOTHIOAMIDE, 4-(2-BENZOTHIAZOLYL)-N-(3,5-DIMETHYLPHENYL)-, 1-Piperidinecarbothioamide, 4-(2-benzothiazolyl)-N-(3,5-dimethylphenyl)- (9CI), 4-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide
| Molecular Formula | C21H23N3S2 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 5.48954 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.13333 |
| Heavy Atoms | 26 |
| Complexity | 886.0841 |
Chemical Identifiers
| CAS Number | 605629-14-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C |
Product Overview
4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide (CAS 605629-14-9), with molecular formula C21H23N3S2 and molecular weight 381.13 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide.
Chemical Property Profile of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide
Property Insights of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide
The XLogP value of 5.48954 indicates that 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide 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-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide?
The CAS number of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide is 605629-14-9.
What is the molecular formula of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide?
The molecular formula of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide is C21H23N3S2.
What is the molecular weight of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide?
The molecular weight of 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide is 381.13 g/mol.
Where can I buy 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide?
You can request a quote for 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazol-2-yl-piperidine-1-carbothioic acid (3,5-dimethyl-phenyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.