5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile

C14H14N2OS — CID 113250104

IUPAC5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile
SMILESCCOc1ccccc1NCc1ccc(C#N)s1
InChIInChI=1S/C14H14N2OS/c1-2-17-14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,2,10H2,1H3
InChIKeyHPFYIPFAIRNZQV-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.63
Rot. Bonds5

About 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile

5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile (PubChem CID 113250104) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile
PubChem CID113250104
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile
SMILESCCOc1ccccc1NCc1ccc(C#N)s1
InChIInChI=1S/C14H14N2OS/c1-2-17-14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,2,10H2,1H3
InChIKeyHPFYIPFAIRNZQV-UHFFFAOYSA-N
XLogP3.63
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile 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

5-[[2-(2-methylpropoxy)anilino]methyl]thiophene-2-carbonitrile
CID 115743830
5-[(2,5-diethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743463
5-[(2-cyanoanilino)methyl]thiophene-2-carbonitrile
CID 113481571
5-[(3-ethoxyanilino)methyl]thiophene-2-carbonitrile
CID 115743071
5-[(2-ethylsulfanylanilino)methyl]thiophene-2-carbonitrile
CID 113268266
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250060
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
methyl 3-[(5-cyanothiophen-2-yl)methylamino]-2-methylbenzoate
CID 115975897
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxyaniline
CID 63120786
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxyaniline
CID 28972860
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
5-[(3-propoxyanilino)methyl]thiophene-2-carbonitrile
CID 115675673

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile (CID 113250104) is 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile is CCOc1ccccc1NCc1ccc(C#N)s1.
What is the InChIKey of 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile?
The InChIKey is HPFYIPFAIRNZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-17-14-6-4-3-5-13(14)16-10-12-8-7-11(9-15)18-12/h3-8,16H,2,10H2,1H3.
What are the key properties of 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile?
5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyanilino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 113250104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).