7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H11F3N2O2S — CID 66753580

IUPAC7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-9-12(13(21)20-6-7-23-14(20)19-9)10-2-4-11(5-3-10)22-8-15(16,17)18/h2-7H,8H2,1H3
InChIKeyVRHSNFPJDLLQBM-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.67
Rot. Bonds3

About 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66753580) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66753580
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1-c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2S/c1-9-12(13(21)20-6-7-23-14(20)19-9)10-2-4-11(5-3-10)22-8-15(16,17)18/h2-7H,8H2,1H3
InChIKeyVRHSNFPJDLLQBM-UHFFFAOYSA-N
XLogP3.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[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 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66753580) is 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1-c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VRHSNFPJDLLQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-9-12(13(21)20-6-7-23-14(20)19-9)10-2-4-11(5-3-10)22-8-15(16,17)18/h2-7H,8H2,1H3.
What are the key properties of 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 340.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66753580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).