(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C20H18ClN3O2S2 — CID 27282898

About (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide

(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 27282898) has the molecular formula C20H18ClN3O2S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 27282898
• Molecular Formula: C20H18ClN3O2S2
• Molecular Weight: 431.97 g/mol
• Exact Mass: 431.05
• IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C20H18ClN3O2S2/c21-15-7-5-13(6-8-15)19(26)24-9-1-3-14(11-24)18(25)23-20-22-16(12-28-20)17-4-2-10-27-17/h2,4-8,10,12,14H,1,3,9,11H2,(H,22,23,25)/t14-/m0/s1
• InChIKey: KNAHKFFKWCNXMC-AWEZNQCLSA-N
• XLogP: 5.02
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.97
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 27282898) is (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.

What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is KNAHKFFKWCNXMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18ClN3O2S2/c21-15-7-5-13(6-8-15)19(26)24-9-1-3-14(11-24)18(25)23-20-22-16(12-28-20)17-4-2-10-27-17/h2,4-8,10,12,14H,1,3,9,11H2,(H,22,23,25)/t14-/m0/s1.

What are the key properties of (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 431.97 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 27282898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).