4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one

C12H9N3O2S — CID 172770860

IUPAC4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESCn1c(O)c(C=C2C=Nc3cnccc32)sc1=O
InChIInChI=1S/C12H9N3O2S/c1-15-11(16)10(18-12(15)17)4-7-5-14-9-6-13-3-2-8(7)9/h2-6,16H,1H3
InChIKeyPLIKWAVRUFEFSX-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.80
Rot. Bonds1

About 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one

4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one (PubChem CID 172770860) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
PubChem CID172770860
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESCn1c(O)c(C=C2C=Nc3cnccc32)sc1=O
InChIInChI=1S/C12H9N3O2S/c1-15-11(16)10(18-12(15)17)4-7-5-14-9-6-13-3-2-8(7)9/h2-6,16H,1H3
InChIKeyPLIKWAVRUFEFSX-UHFFFAOYSA-N
XLogP1.80
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Isocyanato-4-methylpyridine
CID 56972667
3-[5-(trifluoromethyl)pyridin-3-yl]-2H-1,3-thiazol-5-ol
CID 154080182
4-hydroxy-5-(pyridin-3-ylmethyl)-3H-1,3-thiazol-2-one
CID 91250285
3-Ethyl-5-pyridin-3-yl-1,3-thiazol-2-one
CID 164682783
5-Fluoro-3-(4-hydroxy-3-methyl-2-pyridin-3-ylimino-1,3-thiazol-5-yl)indol-2-one
CID 135711448
5-(1H-indol-3-ylmethylene)-3-(3-pyridinyl)-2-thioxo-1,3-thiazolidin-4-one
CID 135420966
1-(2,3-Dihydro-1H-pyrrolo[2,3-c]pyridin-1-yl)ethanone
CID 14086961
N,N,4-trimethylpyridin-3-amine
CID 18728231
4-Ethyl-5-pyridin-4-yl-2(3H)thiazolone
CID 20145016
4-methyl-5-pyridin-4-yl-3H-1,3-thiazol-2-one
CID 20145019
5-(3-isocyano-4-pyridinyl)-4-methyl-3H-1,3-thiazol-2-one
CID 20741899
3-Pyridin-3-yl-1,3-thiazolidin-4-one
CID 54312151

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one (CID 172770860) is 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one is Cn1c(O)c(C=C2C=Nc3cnccc32)sc1=O.
What is the InChIKey of 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
The InChIKey is PLIKWAVRUFEFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-15-11(16)10(18-12(15)17)4-7-5-14-9-6-13-3-2-8(7)9/h2-6,16H,1H3.
What are the key properties of 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one has a molecular weight of 259.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 172770860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).