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

C8H5F3N2OS — CID 59283988

IUPAC6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2sccn2c1=O
InChIInChI=1S/C8H5F3N2OS/c1-4-5(8(9,10)11)12-7-13(6(4)14)2-3-15-7/h2-3H,1H3
InChIKeyWZGQDYPOROOCCK-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.08
Rot. Bonds

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

6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 59283988) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID59283988
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2sccn2c1=O
InChIInChI=1S/C8H5F3N2OS/c1-4-5(8(9,10)11)12-7-13(6(4)14)2-3-15-7/h2-3H,1H3
InChIKeyWZGQDYPOROOCCK-UHFFFAOYSA-N
XLogP2.08
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 59283988) is 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1c(C(F)(F)F)nc2sccn2c1=O.
What is the InChIKey of 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WZGQDYPOROOCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c1-4-5(8(9,10)11)12-7-13(6(4)14)2-3-15-7/h2-3H,1H3.
What are the key properties of 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 234.20 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 59283988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).