4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione

C13H11N3OS — CID 135670376

IUPAC4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
SMILESCn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=S
InChIInChI=1S/C13H11N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,17H,1H3,(H,15,18)/b8-6+
InChIKeyFQRJQZZFLJTEGS-SOFGYWHQSA-N
MW257.32 g/mol
LogP3.04
Rot. Bonds1

About 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione

4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione (PubChem CID 135670376) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
PubChem CID135670376
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
SMILESCn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=S
InChIInChI=1S/C13H11N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,17H,1H3,(H,15,18)/b8-6+
InChIKeyFQRJQZZFLJTEGS-SOFGYWHQSA-N
XLogP3.04
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione 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-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione (CID 135670376) is 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione is Cn1c(O)c(/C=C2\C=Nc3ccccc32)[nH]c1=S.
What is the InChIKey of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione?
The InChIKey is FQRJQZZFLJTEGS-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,17H,1H3,(H,15,18)/b8-6+.
What are the key properties of 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione?
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione has a molecular weight of 257.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 135670376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).