2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile

C15H6N4S — CID 102383190

IUPAC2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1c2ccccc2-c2c1sc(N)c2C#N
InChIInChI=1S/C15H6N4S/c16-5-8(6-17)12-9-3-1-2-4-10(9)13-11(7-18)15(19)20-14(12)13/h1-4H,19H2
InChIKeyFXRRYNYEENNVKN-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.03
Rot. Bonds

About 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile

2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile (PubChem CID 102383190) has the molecular formula C15H6N4S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile
PubChem CID102383190
Molecular FormulaC15H6N4S
Molecular Weight274.31 g/mol
Exact Mass274.03
IUPAC Name2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1c2ccccc2-c2c1sc(N)c2C#N
InChIInChI=1S/C15H6N4S/c16-5-8(6-17)12-9-3-1-2-4-10(9)13-11(7-18)15(19)20-14(12)13/h1-4H,19H2
InChIKeyFXRRYNYEENNVKN-UHFFFAOYSA-N
XLogP3.03
TPSA97.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-5,5-dimethyl-4H-benzo[e][1]benzothiole-1-carbonitrile
CID 29016369
2-(2-methylindeno[1,2-d][1,3]thiazol-4-ylidene)propanedinitrile
CID 14736302
2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
2-[6,16-bis(4-cyanoquinazolin-2-yl)-13-(dicyanomethylidene)-11-thiapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-1(12),2(10),3(8),4,6,14(19),15,17-octaen-9-ylidene]propanedinitrile
CID 134386098
2-fluoreno[4,3-b][1]benzothiol-7-ylidenepropanedinitrile
CID 142501720
5-[9,13-bis(dicyanomethylidene)-16-(2,3-dicyanoquinoxalin-5-yl)-11-thiapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-1(12),2(10),3(8),4,6,14(19),15,17-octaen-6-yl]quinoxaline-2,3-dicarbonitrile
CID 134386372
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
CID 4290243
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
2-[6,16-bis(2-cyanopyrimidin-4-yl)-13-(dicyanomethylidene)-11-thiapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-1(12),2(10),3(8),4,6,14(19),15,17-octaen-9-ylidene]propanedinitrile
CID 134386103
2,5-diamino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 70988037
2-[3-(dicyanomethylidene)-2-(2,2-dimethylpropylidene)inden-1-ylidene]propanedinitrile
CID 153023687
2-(18,27-dioxo-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenylidene)propanedinitrile
CID 20603464

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile?
The IUPAC name of 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile (CID 102383190) is 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile?
The canonical SMILES for 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile is N#CC(C#N)=C1c2ccccc2-c2c1sc(N)c2C#N.
What is the InChIKey of 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile?
The InChIKey is FXRRYNYEENNVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6N4S/c16-5-8(6-17)12-9-3-1-2-4-10(9)13-11(7-18)15(19)20-14(12)13/h1-4H,19H2.
What are the key properties of 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile?
2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile has a molecular weight of 274.31 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-cyanoindeno[2,1-b]thiophen-4-ylidene)propanedinitrile is sourced from PubChem (CID 102383190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).