1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione

C15H15N3OS — CID 135494648

IUPAC1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione
SMILESCCn1c(O)c(/C=C2/C=Nc3ccccc32)n(C)c1=S
InChIInChI=1S/C15H15N3OS/c1-3-18-14(19)13(17(2)15(18)20)8-10-9-16-12-7-5-4-6-11(10)12/h4-9,19H,3H2,1-2H3/b10-8-
InChIKeyXGICGIKXGBAYCB-NTMALXAHSA-N
MW285.37 g/mol
LogP3.54
Rot. Bonds2

About 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione

1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione (PubChem CID 135494648) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione
PubChem CID135494648
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione
SMILESCCn1c(O)c(/C=C2/C=Nc3ccccc32)n(C)c1=S
InChIInChI=1S/C15H15N3OS/c1-3-18-14(19)13(17(2)15(18)20)8-10-9-16-12-7-5-4-6-11(10)12/h4-9,19H,3H2,1-2H3/b10-8-
InChIKeyXGICGIKXGBAYCB-NTMALXAHSA-N
XLogP3.54
TPSA42.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-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 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione?
The IUPAC name of 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione (CID 135494648) is 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione.
What is the SMILES notation for 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione?
The canonical SMILES for 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione is CCn1c(O)c(/C=C2/C=Nc3ccccc32)n(C)c1=S.
What is the InChIKey of 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione?
The InChIKey is XGICGIKXGBAYCB-NTMALXAHSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-18-14(19)13(17(2)15(18)20)8-10-9-16-12-7-5-4-6-11(10)12/h4-9,19H,3H2,1-2H3/b10-8-.
What are the key properties of 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione?
1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione has a molecular weight of 285.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-4-[(E)-indol-3-ylidenemethyl]-3-methylimidazole-2-thione is sourced from PubChem (CID 135494648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).