2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile

C15H13N3S — CID 115146404

IUPAC2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
SMILESCc1ccsc1CNc1[nH]c2ccccc2c1C#N
InChIInChI=1S/C15H13N3S/c1-10-6-7-19-14(10)9-17-15-12(8-16)11-4-2-3-5-13(11)18-15/h2-7,17-18H,9H2,1H3
InChIKeyQMCHVSLGHNLLCU-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.02
Rot. Bonds3

About 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile

2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile (PubChem CID 115146404) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
PubChem CID115146404
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
SMILESCc1ccsc1CNc1[nH]c2ccccc2c1C#N
InChIInChI=1S/C15H13N3S/c1-10-6-7-19-14(10)9-17-15-12(8-16)11-4-2-3-5-13(11)18-15/h2-7,17-18H,9H2,1H3
InChIKeyQMCHVSLGHNLLCU-UHFFFAOYSA-N
XLogP4.02
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-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

2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
CID 172702505
2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
CID 115146441
2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
CID 115146393
2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile
CID 115146330
4-[(3-methylthiophen-2-yl)methylamino]quinoline-3-carbonitrile
CID 79033709
2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
CID 115146398
2-(5-bromo-2-methylanilino)-1H-indole-3-carbonitrile
CID 115146340
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
CID 66526943
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 54865666
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-(pyridin-3-ylamino)-1H-indole-3-carbonitrile
CID 115146342

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile (CID 115146404) is 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile is Cc1ccsc1CNc1[nH]c2ccccc2c1C#N.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile?
The InChIKey is QMCHVSLGHNLLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-6-7-19-14(10)9-17-15-12(8-16)11-4-2-3-5-13(11)18-15/h2-7,17-18H,9H2,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile?
2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile has a molecular weight of 267.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).