1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H13N3O4S — CID 43360221

About 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43360221) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 43360221
• Molecular Formula: C13H13N3O4S
• Molecular Weight: 307.33 g/mol
• Exact Mass: 307.06
• IUPAC Name: 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: O=C(NC1(C(=O)O)CCCC1)c1cnc2sccn2c1=O
• InChI: InChI=1S/C13H13N3O4S/c17-9(15-13(11(19)20)3-1-2-4-13)8-7-14-12-16(10(8)18)5-6-21-12/h5-7H,1-4H2,(H,15,17)(H,19,20)
• InChIKey: SYNSYKXMUPLWFB-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 100.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.33
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43360221) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.

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

The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cnc2sccn2c1=O.

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

The InChIKey is SYNSYKXMUPLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c17-9(15-13(11(19)20)3-1-2-4-13)8-7-14-12-16(10(8)18)5-6-21-12/h5-7H,1-4H2,(H,15,17)(H,19,20).

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

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43360221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).