N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H12F2N4O3S — CID 134051683

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 134051683) has the molecular formula C16H12F2N4O3S and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 134051683
• Molecular Formula: C16H12F2N4O3S
• Molecular Weight: 378.36 g/mol
• Exact Mass: 378.06
• IUPAC Name: N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CNC(=O)C(NC(=O)c1cnc2sccn2c1=O)c1ccc(F)c(F)c1
• InChI: InChI=1S/C16H12F2N4O3S/c1-19-14(24)12(8-2-3-10(17)11(18)6-8)21-13(23)9-7-20-16-22(15(9)25)4-5-26-16/h2-7,12H,1H3,(H,19,24)(H,21,23)
• InChIKey: YVHXXMXIJHWJSV-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 92.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.36
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 134051683) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CNC(=O)C(NC(=O)c1cnc2sccn2c1=O)c1ccc(F)c(F)c1.

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

The InChIKey is YVHXXMXIJHWJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3S/c1-19-14(24)12(8-2-3-10(17)11(18)6-8)21-13(23)9-7-20-16-22(15(9)25)4-5-26-16/h2-7,12H,1H3,(H,19,24)(H,21,23).

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

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134051683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).