2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile

C18H14N2S — CID 146395997

IUPAC2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile
SMILESCNc1sc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H14N2S/c1-20-18-15(12-19)16(13-8-4-2-5-9-13)17(21-18)14-10-6-3-7-11-14/h2-11,20H,1H3
InChIKeyBTPZKBLDXQBLCO-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.00
Rot. Bonds3

About 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile

2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile (PubChem CID 146395997) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile
PubChem CID146395997
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile
SMILESCNc1sc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H14N2S/c1-20-18-15(12-19)16(13-8-4-2-5-9-13)17(21-18)14-10-6-3-7-11-14/h2-11,20H,1H3
InChIKeyBTPZKBLDXQBLCO-UHFFFAOYSA-N
XLogP5.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-ditert-butyl-4-(methylamino)-2-phenylcyclopenta[b]thiopyran-3-carbonitrile
CID 10785786
methyl 4-cyano-3-hydroxy-5-phenylthiophene-2-carboxylate
CID 82372049
2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
trans-(1S,2S)-2-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40592367
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
carbonic acid;2,3,4,5-tetraphenylthiophene
CID 23188696
3,5-dioxo-2,6-diphenyl-s-indacene-1,7-dicarbonitrile
CID 129184944
4-methyl-2-phenylbenzene-1,3-dicarbonitrile
CID 90016382
4-amino-2-morpholin-4-yl-5-phenylthiophene-3-carbonitrile
CID 11076984
5-acetyl-2-ethylsulfanyl-4-phenylthiophene-3-carbonitrile
CID 14119765
4-methyl-2-(methylamino)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 15871301
5-(2-anilino-4-pyridinyl)-4-(4-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
CID 10203204

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile?
The IUPAC name of 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile (CID 146395997) is 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile.
What is the SMILES notation for 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile?
The canonical SMILES for 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile is CNc1sc(-c2ccccc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile?
The InChIKey is BTPZKBLDXQBLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-20-18-15(12-19)16(13-8-4-2-5-9-13)17(21-18)14-10-6-3-7-11-14/h2-11,20H,1H3.
What are the key properties of 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile?
2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile has a molecular weight of 290.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4,5-diphenylthiophene-3-carbonitrile is sourced from PubChem (CID 146395997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).