2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C24H25N5O2S — CID 86905640

About 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86905640) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 86905640
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1nn(C)c(C)c1C1CCCN1C(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O
• InChI: InChI=1S/C24H25N5O2S/c1-15-21(16(2)27(3)26-15)20-10-7-11-28(20)22(30)19-13-25-24-29(23(19)31)14-18(32-24)12-17-8-5-4-6-9-17/h4-6,8-9,13-14,20H,7,10-12H2,1-3H3
• InChIKey: IRBHAIUCNCNAFR-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 72.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86905640) is 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nn(C)c(C)c1C1CCCN1C(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O.

What is the InChIKey of 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is IRBHAIUCNCNAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15-21(16(2)27(3)26-15)20-10-7-11-28(20)22(30)19-13-25-24-29(23(19)31)14-18(32-24)12-17-8-5-4-6-9-17/h4-6,8-9,13-14,20H,7,10-12H2,1-3H3.

What are the key properties of 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 447.56 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86905640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).