5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile

C15H14N2S — CID 75398514

IUPAC5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile
SMILESCC1Cc2ccccc2N1Cc1cc(C#N)cs1
InChIInChI=1S/C15H14N2S/c1-11-6-13-4-2-3-5-15(13)17(11)9-14-7-12(8-16)10-18-14/h2-5,7,10-11H,6,9H2,1H3
InChIKeyGJWBUKPRVISMJQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.57
Rot. Bonds2

About 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile

5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile (PubChem CID 75398514) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile
PubChem CID75398514
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile
SMILESCC1Cc2ccccc2N1Cc1cc(C#N)cs1
InChIInChI=1S/C15H14N2S/c1-11-6-13-4-2-3-5-15(13)17(11)9-14-7-12(8-16)10-18-14/h2-5,7,10-11H,6,9H2,1H3
InChIKeyGJWBUKPRVISMJQ-UHFFFAOYSA-N
XLogP3.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-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

1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
CID 141125701
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78789981
2-methoxy-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzonitrile
CID 106787973
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663
N-(4-cyanophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2161891
[5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765806
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 63511241
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile (CID 75398514) is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile is CC1Cc2ccccc2N1Cc1cc(C#N)cs1.
What is the InChIKey of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile?
The InChIKey is GJWBUKPRVISMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-6-13-4-2-3-5-15(13)17(11)9-14-7-12(8-16)10-18-14/h2-5,7,10-11H,6,9H2,1H3.
What are the key properties of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile?
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile has a molecular weight of 254.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 75398514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).