N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C21H19Cl2N3O2S2 — CID 46674403

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46674403) has the molecular formula C21H19Cl2N3O2S2 and a molecular weight of 480.44 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
• PubChem CID: 46674403
• Molecular Formula: C21H19Cl2N3O2S2
• Molecular Weight: 480.44 g/mol
• Exact Mass: 479.03
• IUPAC Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
• SMILES: O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCN(C(=O)c2cccs2)CC1
• InChI: InChI=1S/C21H19Cl2N3O2S2/c22-15-3-4-17(23)14(10-15)11-16-12-24-21(30-16)25-19(27)13-5-7-26(8-6-13)20(28)18-2-1-9-29-18/h1-4,9-10,12-13H,5-8,11H2,(H,24,25,27)
• InChIKey: MMOJAUOHCDIPGL-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 62.30 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	480.44
LogP ≤ 5	5.59
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-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 46674403) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

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

The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCN(C(=O)c2cccs2)CC1.

What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The InChIKey is MMOJAUOHCDIPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2S2/c22-15-3-4-17(23)14(10-15)11-16-12-24-21(30-16)25-19(27)13-5-7-26(8-6-13)20(28)18-2-1-9-29-18/h1-4,9-10,12-13H,5-8,11H2,(H,24,25,27).

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

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 480.44 g/mol, XLogP of 5.59, 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-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46674403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).