2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile

C13H9N3S — CID 115146330

IUPAC2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c(Nc2cccs2)[nH]c2ccccc12
InChIInChI=1S/C13H9N3S/c14-8-10-9-4-1-2-5-11(9)15-13(10)16-12-6-3-7-17-12/h1-7,15-16H
InChIKeyDQDUOHOJOUZJSL-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.84
Rot. Bonds2

About 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile

2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile (PubChem CID 115146330) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile
PubChem CID115146330
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c(Nc2cccs2)[nH]c2ccccc12
InChIInChI=1S/C13H9N3S/c14-8-10-9-4-1-2-5-11(9)15-13(10)16-12-6-3-7-17-12/h1-7,15-16H
InChIKeyDQDUOHOJOUZJSL-UHFFFAOYSA-N
XLogP3.84
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-3-ylamino)-1H-indole-3-carbonitrile
CID 115146342
2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
CID 115146404
2-(5-bromo-2-methylanilino)-1H-indole-3-carbonitrile
CID 115146340
2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
CID 115146441
2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
CID 172702505
2-formyl-1H-indole-3-carbonitrile
CID 59277563
2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
CID 115146393
2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
CID 115146398
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
3-iodo-1H-indole-2-carbonitrile
CID 11043753
2-(iodomethyl)-1H-indole-3-carbonitrile
CID 54202927
N-(3-cyano-1H-indol-2-yl)-2-methoxybutane-1-sulfonamide
CID 126833408

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile?
The IUPAC name of 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile (CID 115146330) is 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile is N#Cc1c(Nc2cccs2)[nH]c2ccccc12.
What is the InChIKey of 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile?
The InChIKey is DQDUOHOJOUZJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c14-8-10-9-4-1-2-5-11(9)15-13(10)16-12-6-3-7-17-12/h1-7,15-16H.
What are the key properties of 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile?
2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile has a molecular weight of 239.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).