5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H17N3O2S — CID 24515603

About 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 24515603) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 24515603
• Molecular Formula: C16H17N3O2S
• Molecular Weight: 315.40 g/mol
• Exact Mass: 315.10
• IUPAC Name: 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCCc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1
• InChI: InChI=1S/C16H17N3O2S/c1-2-3-11-4-6-12(7-5-11)18-14(20)13-10-17-16-19(15(13)21)8-9-22-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
• InChIKey: SPGCFLWOOULHLN-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.40
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 24515603) is 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1.

What is the InChIKey of 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is SPGCFLWOOULHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-3-11-4-6-12(7-5-11)18-14(20)13-10-17-16-19(15(13)21)8-9-22-16/h4-7,10H,2-3,8-9H2,1H3,(H,18,20).

What are the key properties of 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-(4-propylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24515603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).