5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C14H11N5O3S2 — CID 162631015

About 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 162631015) has the molecular formula C14H11N5O3S2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 162631015
• Molecular Formula: C14H11N5O3S2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.03
• IUPAC Name: 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: O=C(Nc1cnc2sccn2c1=O)C1CC(=O)N(c2nccs2)C1
• InChI: InChI=1S/C14H11N5O3S2/c20-10-5-8(7-19(10)13-15-1-3-23-13)11(21)17-9-6-16-14-18(12(9)22)2-4-24-14/h1-4,6,8H,5,7H2,(H,17,21)
• InChIKey: AJHCJPGDWFDYDN-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 96.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

The IUPAC name of 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 162631015) is 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1cnc2sccn2c1=O)C1CC(=O)N(c2nccs2)C1.

What is the InChIKey of 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is AJHCJPGDWFDYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3S2/c20-10-5-8(7-19(10)13-15-1-3-23-13)11(21)17-9-6-16-14-18(12(9)22)2-4-24-14/h1-4,6,8H,5,7H2,(H,17,21).

What are the key properties of 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 162631015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).