N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

C19H23ClN4O2S — CID 84563615

About N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 84563615) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
• PubChem CID: 84563615
• Molecular Formula: C19H23ClN4O2S
• Molecular Weight: 406.94 g/mol
• Exact Mass: 406.12
• IUPAC Name: N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
• SMILES: Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccccc3Cl)C2)sc1C
• InChI: InChI=1S/C19H23ClN4O2S/c1-12-13(2)27-19(21-12)23-17(25)11-24-9-5-6-14(10-24)18(26)22-16-8-4-3-7-15(16)20/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,22,26)(H,21,23,25)
• InChIKey: JWCACHPUJMADGT-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.94
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (CID 84563615) is N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

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

The canonical SMILES for N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccccc3Cl)C2)sc1C.

What is the InChIKey of N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?

The InChIKey is JWCACHPUJMADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-12-13(2)27-19(21-12)23-17(25)11-24-9-5-6-14(10-24)18(26)22-16-8-4-3-7-15(16)20/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,22,26)(H,21,23,25).

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

N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 84563615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).