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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).