1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

C17H19N7OS — CID 121169108

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121169108) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
• PubChem CID: 121169108
• Molecular Formula: C17H19N7OS
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.14
• IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ncc(C)s4)C3)ncn2)n1
• InChI: InChI=1S/C17H19N7OS/c1-10-4-11(2)24(22-10)15-5-14(19-9-20-15)23-7-13(8-23)16(25)21-17-18-6-12(3)26-17/h4-6,9,13H,7-8H2,1-3H3,(H,18,21,25)
• InChIKey: OUURCHYYSMOUGF-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 121169108) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide.

What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ncc(C)s4)C3)ncn2)n1.

What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

The InChIKey is OUURCHYYSMOUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-10-4-11(2)24(22-10)15-5-14(19-9-20-15)23-7-13(8-23)16(25)21-17-18-6-12(3)26-17/h4-6,9,13H,7-8H2,1-3H3,(H,18,21,25).

What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide?

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121169108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).