(2S)-2-anilino-2-thiophen-3-ylacetonitrile

C12H10N2S — CID 40637942

IUPAC(2S)-2-anilino-2-thiophen-3-ylacetonitrile
SMILESN#C[C@@H](Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H10N2S/c13-8-12(10-6-7-15-9-10)14-11-4-2-1-3-5-11/h1-7,9,12,14H/t12-/m1/s1
InChIKeyGWPXWDSCQZHEAL-GFCCVEGCSA-N
MW214.29 g/mol
LogP3.42
Rot. Bonds3

About (2S)-2-anilino-2-thiophen-3-ylacetonitrile

(2S)-2-anilino-2-thiophen-3-ylacetonitrile (PubChem CID 40637942) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (2S)-2-anilino-2-thiophen-3-ylacetonitrile.

Molecular Properties

Compound Name(2S)-2-anilino-2-thiophen-3-ylacetonitrile
PubChem CID40637942
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name(2S)-2-anilino-2-thiophen-3-ylacetonitrile
SMILESN#C[C@@H](Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H10N2S/c13-8-12(10-6-7-15-9-10)14-11-4-2-1-3-5-11/h1-7,9,12,14H/t12-/m1/s1
InChIKeyGWPXWDSCQZHEAL-GFCCVEGCSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-anilino-2-thiophen-3-ylacetonitrile 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

2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile
CID 60987777
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-anilino-2-thiophen-3-ylethanol
CID 61046971
2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 102470175
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
2-(butylamino)-2-thiophen-3-ylacetonitrile
CID 84816606
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-2-thiophen-3-ylacetonitrile?
The IUPAC name of (2S)-2-anilino-2-thiophen-3-ylacetonitrile (CID 40637942) is (2S)-2-anilino-2-thiophen-3-ylacetonitrile.
What is the SMILES notation for (2S)-2-anilino-2-thiophen-3-ylacetonitrile?
The canonical SMILES for (2S)-2-anilino-2-thiophen-3-ylacetonitrile is N#C[C@@H](Nc1ccccc1)c1ccsc1.
What is the InChIKey of (2S)-2-anilino-2-thiophen-3-ylacetonitrile?
The InChIKey is GWPXWDSCQZHEAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H10N2S/c13-8-12(10-6-7-15-9-10)14-11-4-2-1-3-5-11/h1-7,9,12,14H/t12-/m1/s1.
What are the key properties of (2S)-2-anilino-2-thiophen-3-ylacetonitrile?
(2S)-2-anilino-2-thiophen-3-ylacetonitrile has a molecular weight of 214.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-2-thiophen-3-ylacetonitrile is sourced from PubChem (CID 40637942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).