N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

C21H19Cl2N3O3S — CID 46515850

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46515850) has the molecular formula C21H19Cl2N3O3S and a molecular weight of 464.37 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
• PubChem CID: 46515850
• Molecular Formula: C21H19Cl2N3O3S
• Molecular Weight: 464.37 g/mol
• Exact Mass: 463.05
• IUPAC Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCCN(C(=O)c2ccco2)C1
• InChI: InChI=1S/C21H19Cl2N3O3S/c22-15-5-6-17(23)14(9-15)10-16-11-24-21(30-16)25-19(27)13-3-1-7-26(12-13)20(28)18-4-2-8-29-18/h2,4-6,8-9,11,13H,1,3,7,10,12H2,(H,24,25,27)
• InChIKey: LDNSTXXZQBFWGA-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.37
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 46515850) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCCN(C(=O)c2ccco2)C1.

What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?

The InChIKey is LDNSTXXZQBFWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3S/c22-15-5-6-17(23)14(9-15)10-16-11-24-21(30-16)25-19(27)13-3-1-7-26(12-13)20(28)18-4-2-8-29-18/h2,4-6,8-9,11,13H,1,3,7,10,12H2,(H,24,25,27).

What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 464.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46515850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).