1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C15H17N5O2S — CID 126945193

About 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945193) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126945193
• Molecular Formula: C15H17N5O2S
• Molecular Weight: 331.40 g/mol
• Exact Mass: 331.11
• IUPAC Name: 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: Cc1nc(C(=O)N2CC(n3cc(N4CCCC4=O)cn3)C2)cs1
• InChI: InChI=1S/C15H17N5O2S/c1-10-17-13(9-23-10)15(22)18-6-12(7-18)20-8-11(5-16-20)19-4-2-3-14(19)21/h5,8-9,12H,2-4,6-7H2,1H3
• InChIKey: JABVHFAJTVOKPQ-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.40
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945193) is 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is Cc1nc(C(=O)N2CC(n3cc(N4CCCC4=O)cn3)C2)cs1.

What is the InChIKey of 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is JABVHFAJTVOKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10-17-13(9-23-10)15(22)18-6-12(7-18)20-8-11(5-16-20)19-4-2-3-14(19)21/h5,8-9,12H,2-4,6-7H2,1H3.

What are the key properties of 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 331.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).