2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile

C19H12N2S2 — CID 76537066

IUPAC2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2cccs2)s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H12N2S2/c20-12-14(17-11-13-4-1-2-5-16(13)21-17)10-15-7-8-19(23-15)18-6-3-9-22-18/h1-11,21H
InChIKeyOEXHRCWLLCTGHX-UHFFFAOYSA-N
MW332.45 g/mol
LogP6.02
Rot. Bonds3

About 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile

2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile (PubChem CID 76537066) has the molecular formula C19H12N2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
PubChem CID76537066
Molecular FormulaC19H12N2S2
Molecular Weight332.45 g/mol
Exact Mass332.04
IUPAC Name2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2cccs2)s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H12N2S2/c20-12-14(17-11-13-4-1-2-5-16(13)21-17)10-15-7-8-19(23-15)18-6-3-9-22-18/h1-11,21H
InChIKeyOEXHRCWLLCTGHX-UHFFFAOYSA-N
XLogP6.02
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-chlorophenyl)-2-(1H-indol-2-yl)prop-2-enenitrile
CID 155927974
(Z)-3-(4-bromophenyl)-2-(1H-indol-2-yl)prop-2-enenitrile
CID 155927977
(Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile
CID 164576071
(Z)-2-isocyano-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
CID 123586284
(E)-2-(1H-benzimidazol-2-yl)-3-(3-thiophen-2-ylphenyl)prop-2-enenitrile
CID 110170088
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
3-[5-[4-[5-(2-cyano-2-thiophen-2-ylethenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2-thiophen-2-ylprop-2-enenitrile
CID 123663793
3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638521
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
(E)-N-[(Z)-4-cyano-4-(1H-indol-2-yl)but-3-enyl]-N-methylbut-2-enamide
CID 11022736
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
The IUPAC name of 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile (CID 76537066) is 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile.
What is the SMILES notation for 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
The canonical SMILES for 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile is N#CC(=Cc1ccc(-c2cccs2)s1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
The InChIKey is OEXHRCWLLCTGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2S2/c20-12-14(17-11-13-4-1-2-5-16(13)21-17)10-15-7-8-19(23-15)18-6-3-9-22-18/h1-11,21H.
What are the key properties of 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile has a molecular weight of 332.45 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile is sourced from PubChem (CID 76537066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).