3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide

C17H23N3O2S — CID 90508348

About 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide

3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (PubChem CID 90508348) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
• PubChem CID: 90508348
• Molecular Formula: C17H23N3O2S
• Molecular Weight: 333.46 g/mol
• Exact Mass: 333.15
• IUPAC Name: 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
• SMILES: Cc1cc(=O)n2c(CCNC(=O)CCC3CCCC3)csc2n1
• InChI: InChI=1S/C17H23N3O2S/c1-12-10-16(22)20-14(11-23-17(20)19-12)8-9-18-15(21)7-6-13-4-2-3-5-13/h10-11,13H,2-9H2,1H3,(H,18,21)
• InChIKey: RSOZDRNVVSIBQR-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 63.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.46
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The IUPAC name of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (CID 90508348) is 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.

What is the SMILES notation for 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The canonical SMILES for 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is Cc1cc(=O)n2c(CCNC(=O)CCC3CCCC3)csc2n1.

What is the InChIKey of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The InChIKey is RSOZDRNVVSIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-10-16(22)20-14(11-23-17(20)19-12)8-9-18-15(21)7-6-13-4-2-3-5-13/h10-11,13H,2-9H2,1H3,(H,18,21).

What are the key properties of 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 90508348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).