1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C21H19F2N3O2S2 — CID 20973358

About 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 20973358) has the molecular formula C21H19F2N3O2S2 and a molecular weight of 447.53 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 20973358
• Molecular Formula: C21H19F2N3O2S2
• Molecular Weight: 447.53 g/mol
• Exact Mass: 447.09
• IUPAC Name: 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
• SMILES: O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
• InChI: InChI=1S/C21H19F2N3O2S2/c22-16-4-3-14(10-17(16)23)21(28)26-7-5-13(6-8-26)19(27)24-11-15-12-30-20(25-15)18-2-1-9-29-18/h1-4,9-10,12-13H,5-8,11H2,(H,24,27)
• InChIKey: KGPYIXZWXHBTED-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.53
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 20973358) is 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1.

What is the InChIKey of 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

The InChIKey is KGPYIXZWXHBTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2S2/c22-16-4-3-14(10-17(16)23)21(28)26-7-5-13(6-8-26)19(27)24-11-15-12-30-20(25-15)18-2-1-9-29-18/h1-4,9-10,12-13H,5-8,11H2,(H,24,27).

What are the key properties of 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?

1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 447.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).