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

C9H7F3N2OS — CID 59284054

IUPAC2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C)c(C(F)(F)F)nc2s1
InChIInChI=1S/C9H7F3N2OS/c1-4-3-14-7(15)5(2)6(9(10,11)12)13-8(14)16-4/h3H,1-2H3
InChIKeyZIPFJVQRBVVGHI-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.39
Rot. Bonds

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

2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 59284054) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID59284054
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C)c(C(F)(F)F)nc2s1
InChIInChI=1S/C9H7F3N2OS/c1-4-3-14-7(15)5(2)6(9(10,11)12)13-8(14)16-4/h3H,1-2H3
InChIKeyZIPFJVQRBVVGHI-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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 59284054) is 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(C)c(C(F)(F)F)nc2s1.
What is the InChIKey of 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZIPFJVQRBVVGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c1-4-3-14-7(15)5(2)6(9(10,11)12)13-8(14)16-4/h3H,1-2H3.
What are the key properties of 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,6-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 2,6-dimethyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 59284054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).