N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C28H32N6OS — CID 59209179

About N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59209179) has the molecular formula C28H32N6OS and a molecular weight of 500.67 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 59209179
• Molecular Formula: C28H32N6OS
• Molecular Weight: 500.67 g/mol
• Exact Mass: 500.24
• IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(CCCc4ccccc4)CC3)n2)n1
• InChI: InChI=1S/C28H32N6OS/c1-20-18-21(2)34(32-20)26-24(11-6-14-29-26)30-27(35)25-19-36-28(31-25)23-12-16-33(17-13-23)15-7-10-22-8-4-3-5-9-22/h3-6,8-9,11,14,18-19,23H,7,10,12-13,15-17H2,1-2H3,(H,30,35)
• InChIKey: GXIIBYBAHJHALH-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.67
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59209179) is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2ncccc2NC(=O)c2csc(C3CCN(CCCc4ccccc4)CC3)n2)n1.

What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is GXIIBYBAHJHALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6OS/c1-20-18-21(2)34(32-20)26-24(11-6-14-29-26)30-27(35)25-19-36-28(31-25)23-12-16-33(17-13-23)15-7-10-22-8-4-3-5-9-22/h3-6,8-9,11,14,18-19,23H,7,10,12-13,15-17H2,1-2H3,(H,30,35).

What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 500.67 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).