5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C10H8F3N3O3S — CID 103723005

About 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 103723005) has the molecular formula C10H8F3N3O3S and a molecular weight of 307.25 g/mol. Its IUPAC name is 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 103723005
• Molecular Formula: C10H8F3N3O3S
• Molecular Weight: 307.25 g/mol
• Exact Mass: 307.02
• IUPAC Name: 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(NCC(O)C(F)(F)F)c1cnc2sccn2c1=O
• InChI: InChI=1S/C10H8F3N3O3S/c11-10(12,13)6(17)4-14-7(18)5-3-15-9-16(8(5)19)1-2-20-9/h1-3,6,17H,4H2,(H,14,18)
• InChIKey: MHMZZWHUZMKHHE-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 83.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.25
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 103723005) is 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(O)C(F)(F)F)c1cnc2sccn2c1=O.

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

The InChIKey is MHMZZWHUZMKHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S/c11-10(12,13)6(17)4-14-7(18)5-3-15-9-16(8(5)19)1-2-20-9/h1-3,6,17H,4H2,(H,14,18).

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

5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 103723005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).