2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

C14H9F3N2OS — CID 53257845

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
InChIKeyUQVNCGIZTSUQOC-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.53
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 53257845) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID53257845
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
InChIKeyUQVNCGIZTSUQOC-UHFFFAOYSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 2727563
2,3-Dihydroindol-1-yl(pyridin-3-yl)methanone
CID 669080
(N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)methyl)benzamide)
CID 126569528
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
Xg076
CID 5703
2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 9992116
2-Pyridin-4-yl-isothiazolo[5,4-b]pyridin-3-one
CID 11746413
N-benzyl-N-methylnicotinamide
CID 762741
2-Methyl-1-(3-pyridinylcarbonyl)indoline
CID 2970589
2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one
CID 11127503
N-(4-Methylbenzyl)-2-(methylthio)nicotinamide
CID 2576591
2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 393169

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 53257845) is 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is O=c1c2cccnc2sn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is UQVNCGIZTSUQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 310.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 53257845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).