2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one

C12H8N2OS — CID 5703

IUPAC2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1-c1ccccc1
InChIInChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
InChIKeyLUMATLSEPMKELP-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.45
Rot. Bonds1

About 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one

2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 5703) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID5703
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1-c1ccccc1
InChIInChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
InChIKeyLUMATLSEPMKELP-UHFFFAOYSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nicotinanilide
CID 74463
2-[ethyl(phenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 941901
n-(2-Fluorophenyl)nicotinamide
CID 279880
N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 654213
N-(4-fluorophenyl)pyridine-3-carboxamide
CID 279881
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
N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2316496
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 5703) is 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one is O=c1c2cccnc2sn1-c1ccccc1.
What is the InChIKey of 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is LUMATLSEPMKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 228.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 5703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).