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

C13H11N3O2S — CID 172709337

IUPAC3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESCCn1c(O)c(C=C2C=Nc3cnccc32)sc1=O
InChIInChI=1S/C13H11N3O2S/c1-2-16-12(17)11(19-13(16)18)5-8-6-15-10-7-14-4-3-9(8)10/h3-7,17H,2H2,1H3
InChIKeyCBRAPCKOOQLBIF-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.29
Rot. Bonds2

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

3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one (PubChem CID 172709337) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
PubChem CID172709337
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
SMILESCCn1c(O)c(C=C2C=Nc3cnccc32)sc1=O
InChIInChI=1S/C13H11N3O2S/c1-2-16-12(17)11(19-13(16)18)5-8-6-15-10-7-14-4-3-9(8)10/h3-7,17H,2H2,1H3
InChIKeyCBRAPCKOOQLBIF-UHFFFAOYSA-N
XLogP2.29
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-4-hydroxy-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 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one (CID 172709337) is 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one is CCn1c(O)c(C=C2C=Nc3cnccc32)sc1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
The InChIKey is CBRAPCKOOQLBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-2-16-12(17)11(19-13(16)18)5-8-6-15-10-7-14-4-3-9(8)10/h3-7,17H,2H2,1H3.
What are the key properties of 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one?
3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one has a molecular weight of 273.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 172709337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).