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

C24H23Cl2N3O2S — CID 30685210

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

1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 30685210) has the molecular formula C24H23Cl2N3O2S and a molecular weight of 488.44 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 30685210
• Molecular Formula: C24H23Cl2N3O2S
• Molecular Weight: 488.44 g/mol
• Exact Mass: 487.09
• IUPAC Name: 1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1Cl
• InChI: InChI=1S/C24H23Cl2N3O2S/c1-15-2-3-16(13-21(15)26)12-20-14-27-24(32-20)28-22(30)17-8-10-29(11-9-17)23(31)18-4-6-19(25)7-5-18/h2-7,13-14,17H,8-12H2,1H3,(H,27,28,30)
• InChIKey: JBBIPNOFJXTWRK-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.44
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 30685210) is 1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)s2)cc1Cl.

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

The InChIKey is JBBIPNOFJXTWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2S/c1-15-2-3-16(13-21(15)26)12-20-14-27-24(32-20)28-22(30)17-8-10-29(11-9-17)23(31)18-4-6-19(25)7-5-18/h2-7,13-14,17H,8-12H2,1H3,(H,27,28,30).

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

1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 488.44 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30685210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).