3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one

C10H9F3N2OS — CID 59284096

IUPAC3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one
SMILESCc1c(C(F)(F)F)n(C)c2snc(C)c2c1=O
InChIInChI=1S/C10H9F3N2OS/c1-4-7(16)6-5(2)14-17-9(6)15(3)8(4)10(11,12)13/h1-3H3
InChIKeyRMNHXAXYLRSVHV-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.63
Rot. Bonds

About 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one

3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one (PubChem CID 59284096) has the molecular formula C10H9F3N2OS and a molecular weight of 262.26 g/mol. Its IUPAC name is 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one
PubChem CID59284096
Molecular FormulaC10H9F3N2OS
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one
SMILESCc1c(C(F)(F)F)n(C)c2snc(C)c2c1=O
InChIInChI=1S/C10H9F3N2OS/c1-4-7(16)6-5(2)14-17-9(6)15(3)8(4)10(11,12)13/h1-3H3
InChIKeyRMNHXAXYLRSVHV-UHFFFAOYSA-N
XLogP2.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one?
The IUPAC name of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one (CID 59284096) is 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one is Cc1c(C(F)(F)F)n(C)c2snc(C)c2c1=O.
What is the InChIKey of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one?
The InChIKey is RMNHXAXYLRSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS/c1-4-7(16)6-5(2)14-17-9(6)15(3)8(4)10(11,12)13/h1-3H3.
What are the key properties of 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one?
3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one has a molecular weight of 262.26 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 59284096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).