2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol

C16H19NO2S — CID 56646588

IUPAC2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c18-11-9-17(10-12-19)15-6-3-14(4-7-15)5-8-16-2-1-13-20-16/h1-8,13,18-19H,9-12H2/b8-5+
InChIKeyCJWSQPNOUCHOPZ-VMPITWQZSA-N
MW289.40 g/mol
LogP2.71
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol (PubChem CID 56646588) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol
PubChem CID56646588
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol
SMILESOCCN(CCO)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c18-11-9-17(10-12-19)15-6-3-14(4-7-15)5-8-16-2-1-13-20-16/h1-8,13,18-19H,9-12H2/b8-5+
InChIKeyCJWSQPNOUCHOPZ-VMPITWQZSA-N
XLogP2.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol 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 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol (CID 56646588) is 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol is OCCN(CCO)c1ccc(/C=C/c2cccs2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol?
The InChIKey is CJWSQPNOUCHOPZ-VMPITWQZSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-11-9-17(10-12-19)15-6-3-14(4-7-15)5-8-16-2-1-13-20-16/h1-8,13,18-19H,9-12H2/b8-5+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol has a molecular weight of 289.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol is sourced from PubChem (CID 56646588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).