4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid

C13H17N3O4S — CID 43353312

About 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid

4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (PubChem CID 43353312) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

Molecular Properties

• Compound Name: 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
• PubChem CID: 43353312
• Molecular Formula: C13H17N3O4S
• Molecular Weight: 311.36 g/mol
• Exact Mass: 311.09
• IUPAC Name: 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
• SMILES: CC(C)CC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O
• InChI: InChI=1S/C13H17N3O4S/c1-7(2)5-9(12(19)20)15-10(17)8-6-14-13-16(11(8)18)3-4-21-13/h6-7,9H,3-5H2,1-2H3,(H,15,17)(H,19,20)
• InChIKey: ZLRSLFYWYHFPFO-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 101.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.36
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?

The IUPAC name of 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (CID 43353312) is 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

What is the SMILES notation for 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?

The canonical SMILES for 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1cnc2n(c1=O)CCS2)C(=O)O.

What is the InChIKey of 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?

The InChIKey is ZLRSLFYWYHFPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-7(2)5-9(12(19)20)15-10(17)8-6-14-13-16(11(8)18)3-4-21-13/h6-7,9H,3-5H2,1-2H3,(H,15,17)(H,19,20).

What are the key properties of 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?

4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid has a molecular weight of 311.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43353312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).