3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H7F3N2OS — CID 59284277

IUPAC3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2scc(C)n2c1=O
InChIInChI=1S/C9H7F3N2OS/c1-4-3-16-8-13-6(9(10,11)12)5(2)7(15)14(4)8/h3H,1-2H3
InChIKeyFWTYQOSFQHDURF-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.39
Rot. Bonds

About 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 59284277) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID59284277
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2scc(C)n2c1=O
InChIInChI=1S/C9H7F3N2OS/c1-4-3-16-8-13-6(9(10,11)12)5(2)7(15)14(4)8/h3H,1-2H3
InChIKeyFWTYQOSFQHDURF-UHFFFAOYSA-N
XLogP2.39
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 59283988
6-Methyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 59284150
6-Bromo-3-methyl-7-(trifluoromethyl)thiazolo[3,2-a]pyrimidin-5-one
CID 156432667
2-methylsulfanyl-3-(4-methyl-2H-thiophen-2-id-3-yl)-6-(trifluoromethyl)pyrimidin-4-one
CID 157347413
2-methylsulfanyl-3-(3-methyl-2H-thiophen-2-id-4-yl)-6-(trifluoromethyl)pyrimidin-4-one
CID 159222494
3,6-Dimethyl-7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124129847
3,6,7-Trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 141853976
7-Amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one;ethane
CID 145415644
3,7-Dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 82396317
7-Amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 145415645

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 59284277) is 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1c(C(F)(F)F)nc2scc(C)n2c1=O.
What is the InChIKey of 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FWTYQOSFQHDURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c1-4-3-16-8-13-6(9(10,11)12)5(2)7(15)14(4)8/h3H,1-2H3.
What are the key properties of 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 248.23 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 59284277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).