5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde

C13H9N3O2S — CID 135608428

IUPAC5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)n(-c2nccs2)c1O
InChIInChI=1S/C13H9N3O2S/c17-8-10-12(18)16(13-14-6-7-19-13)11(15-10)9-4-2-1-3-5-9/h1-8,18H
InChIKeyZOSPXGXVXSFVRQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.51
Rot. Bonds3

About 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde

5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde (PubChem CID 135608428) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde
PubChem CID135608428
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)n(-c2nccs2)c1O
InChIInChI=1S/C13H9N3O2S/c17-8-10-12(18)16(13-14-6-7-19-13)11(15-10)9-4-2-1-3-5-9/h1-8,18H
InChIKeyZOSPXGXVXSFVRQ-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
CID 3561841
5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220814
5-(phenoxymethyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220861
3-hydroxy-4-[(4-hydroxyphenyl)iminomethyl]-2-(1,3-thiazol-2-yl)isoquinolin-1-one
CID 2390010
3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
CID 91621526
5-pyridin-4-yl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220879
1-methyl-2,5-diphenylimidazole-4-carbaldehyde
CID 14924912
5-amino-1-methyl-2-phenylimidazole-4-carbaldehyde
CID 10726751
2-[2-oxo-3-(1,3-thiazol-2-yl)benzimidazol-1-yl]acetaldehyde
CID 58710653
2,5-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78899764
(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 682030
2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione
CID 1042831

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
The IUPAC name of 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde (CID 135608428) is 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde is O=Cc1nc(-c2ccccc2)n(-c2nccs2)c1O.
What is the InChIKey of 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
The InChIKey is ZOSPXGXVXSFVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-8-10-12(18)16(13-14-6-7-19-13)11(15-10)9-4-2-1-3-5-9/h1-8,18H.
What are the key properties of 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde?
5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde has a molecular weight of 271.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)imidazole-4-carbaldehyde is sourced from PubChem (CID 135608428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).