N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H15N5O2S — CID 71689668

About N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 71689668) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 71689668
• Molecular Formula: C16H15N5O2S
• Molecular Weight: 341.40 g/mol
• Exact Mass: 341.09
• IUPAC Name: N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1ncc2c(n1)CCCC2NC(=O)c1cnc2sccn2c1=O
• InChI: InChI=1S/C16H15N5O2S/c1-9-17-7-10-12(19-9)3-2-4-13(10)20-14(22)11-8-18-16-21(15(11)23)5-6-24-16/h5-8,13H,2-4H2,1H3,(H,20,22)
• InChIKey: ZLXCDEGRMURWBT-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.40
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 71689668) is N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1ncc2c(n1)CCCC2NC(=O)c1cnc2sccn2c1=O.

What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is ZLXCDEGRMURWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-9-17-7-10-12(19-9)3-2-4-13(10)20-14(22)11-8-18-16-21(15(11)23)5-6-24-16/h5-8,13H,2-4H2,1H3,(H,20,22).

What are the key properties of N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71689668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).