1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C21H20Cl2N4OS — CID 55995028

About 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55995028) has the molecular formula C21H20Cl2N4OS and a molecular weight of 447.39 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 55995028
• Molecular Formula: C21H20Cl2N4OS
• Molecular Weight: 447.39 g/mol
• Exact Mass: 446.07
• IUPAC Name: 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2csc(-c3ccccc3Cl)n2)C1
• InChI: InChI=1S/C21H20Cl2N4OS/c22-15-7-8-19(24-10-15)26-20(28)14-4-3-9-27(11-14)12-16-13-29-21(25-16)17-5-1-2-6-18(17)23/h1-2,5-8,10,13-14H,3-4,9,11-12H2,(H,24,26,28)
• InChIKey: LSUBCOMIPOQTKP-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.39
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

The IUPAC name of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 55995028) is 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2csc(-c3ccccc3Cl)n2)C1.

What is the InChIKey of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

The InChIKey is LSUBCOMIPOQTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4OS/c22-15-7-8-19(24-10-15)26-20(28)14-4-3-9-27(11-14)12-16-13-29-21(25-16)17-5-1-2-6-18(17)23/h1-2,5-8,10,13-14H,3-4,9,11-12H2,(H,24,26,28).

What are the key properties of 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?

1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 447.39 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55995028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).