N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C26H25N5OS — CID 90519073

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90519073) has the molecular formula C26H25N5OS and a molecular weight of 455.59 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
• PubChem CID: 90519073
• Molecular Formula: C26H25N5OS
• Molecular Weight: 455.59 g/mol
• Exact Mass: 455.18
• IUPAC Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
• SMILES: Cc1nc(-c2cccc(NC(=O)C3CCN(c4cc(-c5ccccc5)ncn4)CC3)c2)cs1
• InChI: InChI=1S/C26H25N5OS/c1-18-29-24(16-33-18)21-8-5-9-22(14-21)30-26(32)20-10-12-31(13-11-20)25-15-23(27-17-28-25)19-6-3-2-4-7-19/h2-9,14-17,20H,10-13H2,1H3,(H,30,32)
• InChIKey: CCKMOONSMPCAHS-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.59
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?

The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90519073) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is Cc1nc(-c2cccc(NC(=O)C3CCN(c4cc(-c5ccccc5)ncn4)CC3)c2)cs1.

What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?

The InChIKey is CCKMOONSMPCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS/c1-18-29-24(16-33-18)21-8-5-9-22(14-21)30-26(32)20-10-12-31(13-11-20)25-15-23(27-17-28-25)19-6-3-2-4-7-19/h2-9,14-17,20H,10-13H2,1H3,(H,30,32).

What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide?

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 455.59 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90519073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).