1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile

C15H9N3OS — CID 142766488

IUPAC1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
SMILESCOn1c(-c2cccs2)cc2cc(C#N)c(C#N)cc21
InChIInChI=1S/C15H9N3OS/c1-19-18-13-7-12(9-17)11(8-16)5-10(13)6-14(18)15-3-2-4-20-15/h2-7H,1H3
InChIKeyXGPFTQLTMZPXDM-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.17
Rot. Bonds2

About 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile

1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile (PubChem CID 142766488) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile.

Molecular Properties

Compound Name1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
PubChem CID142766488
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC Name1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
SMILESCOn1c(-c2cccs2)cc2cc(C#N)c(C#N)cc21
InChIInChI=1S/C15H9N3OS/c1-19-18-13-7-12(9-17)11(8-16)5-10(13)6-14(18)15-3-2-4-20-15/h2-7H,1H3
InChIKeyXGPFTQLTMZPXDM-UHFFFAOYSA-N
XLogP3.17
TPSA61.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-formyl-1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
CID 142766487
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile
CID 19419283
dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate
CID 101187128
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
2-(methylamino)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 62197120
1-benzothiophene-5,6-dicarbonitrile
CID 14716418
3-butanoyl-1-hydroxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
CID 142770743
4-thiophen-2-ylbenzene-1,3-dicarbonitrile
CID 76539683
1-(2-methylpropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 82516710
methyl 4-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)benzoate
CID 58003650
2-(3-cyano-2-oxo-6-thiophen-2-yl-1-pyridinyl)butanoic acid
CID 82146644

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile?
The IUPAC name of 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile (CID 142766488) is 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile.
What is the SMILES notation for 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile?
The canonical SMILES for 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile is COn1c(-c2cccs2)cc2cc(C#N)c(C#N)cc21.
What is the InChIKey of 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile?
The InChIKey is XGPFTQLTMZPXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c1-19-18-13-7-12(9-17)11(8-16)5-10(13)6-14(18)15-3-2-4-20-15/h2-7H,1H3.
What are the key properties of 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile?
1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile has a molecular weight of 279.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile is sourced from PubChem (CID 142766488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).