3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H11F3N4O2S — CID 118011002

IUPAC3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12
InChIInChI=1S/C14H11F3N4O2S/c1-7(22)12-8(2)24-13-18-9(5-11(23)21(12)13)6-20-4-3-10(19-20)14(15,16)17/h3-5H,6H2,1-2H3
InChIKeyZGMTUYGKZWQVNA-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.53
Rot. Bonds3

About 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118011002) has the molecular formula C14H11F3N4O2S and a molecular weight of 356.33 g/mol. Its IUPAC name is 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118011002
Molecular FormulaC14H11F3N4O2S
Molecular Weight356.33 g/mol
Exact Mass356.06
IUPAC Name3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12
InChIInChI=1S/C14H11F3N4O2S/c1-7(22)12-8(2)24-13-18-9(5-11(23)21(12)13)6-20-4-3-10(19-20)14(15,16)17/h3-5H,6H2,1-2H3
InChIKeyZGMTUYGKZWQVNA-UHFFFAOYSA-N
XLogP2.53
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118011002) is 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(=O)c1c(C)sc2nc(Cn3ccc(C(F)(F)F)n3)cc(=O)n12.
What is the InChIKey of 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZGMTUYGKZWQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S/c1-7(22)12-8(2)24-13-18-9(5-11(23)21(12)13)6-20-4-3-10(19-20)14(15,16)17/h3-5H,6H2,1-2H3.
What are the key properties of 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 356.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methyl-7-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118011002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).