7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H15N3O4S — CID 135853357

About 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853357) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 135853357
• Molecular Formula: C13H15N3O4S
• Molecular Weight: 309.35 g/mol
• Exact Mass: 309.08
• IUPAC Name: 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1csc2nc(O)c(C(=O)NCC3CCCO3)c(=O)n12
• InChI: InChI=1S/C13H15N3O4S/c1-7-6-21-13-15-11(18)9(12(19)16(7)13)10(17)14-5-8-3-2-4-20-8/h6,8,18H,2-5H2,1H3,(H,14,17)
• InChIKey: AOEQRVNQVFBSRA-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.35
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853357) is 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NCC3CCCO3)c(=O)n12.

What is the InChIKey of 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is AOEQRVNQVFBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-6-21-13-15-11(18)9(12(19)16(7)13)10(17)14-5-8-3-2-4-20-8/h6,8,18H,2-5H2,1H3,(H,14,17).

What are the key properties of 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-3-methyl-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).