N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H17N5OS — CID 46431658

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46431658) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
• PubChem CID: 46431658
• Molecular Formula: C20H17N5OS
• Molecular Weight: 375.46 g/mol
• Exact Mass: 375.12
• IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cn2)n1
• InChI: InChI=1S/C20H17N5OS/c1-13-10-14(2)25(24-13)18-9-8-16(11-21-18)22-19(26)17-12-27-20(23-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,26)
• InChIKey: CQWDIFXKBRKTEU-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.46
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 46431658) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cn2)n1.

What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

The InChIKey is CQWDIFXKBRKTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-13-10-14(2)25(24-13)18-9-8-16(11-21-18)22-19(26)17-12-27-20(23-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,26).

What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46431658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).