2-amino-5-phenylthiophene-3-carbonitrile

C11H8N2S — CID 15680118

IUPAC2-amino-5-phenylthiophene-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)sc1N
InChIInChI=1S/C11H8N2S/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2
InChIKeyWEAZGHUZIQFNLY-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.87
Rot. Bonds1

About 2-amino-5-phenylthiophene-3-carbonitrile

2-amino-5-phenylthiophene-3-carbonitrile (PubChem CID 15680118) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-amino-5-phenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-phenylthiophene-3-carbonitrile
PubChem CID15680118
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-amino-5-phenylthiophene-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)sc1N
InChIInChI=1S/C11H8N2S/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2
InChIKeyWEAZGHUZIQFNLY-UHFFFAOYSA-N
XLogP2.87
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile
CID 78382
2-amino-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carbonitrile
CID 601417
2-Amino-3-cyano-4-methyl-5-phenylthiophene
CID 308248
3-Amino-1-benzothiophene-2-carbonitrile
CID 821951
2-Amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
CID 672396
2-Amino-5-non-8-enylthiophene-3-carbonitrile
CID 72704995
3-Amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
CID 2735894
2-Amino-5-ethylthiophene-3-carbonitrile
CID 15680119
2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
2-Amino-1-benzothiophene-3-carbonitrile
CID 23273581
2-Amino-5-methyl-3-thiophenecarbonitrile
CID 689056
2-Amino-4-(2,4-dimethylphenyl)-3-thiophenecarbonitrile
CID 16784974

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-phenylthiophene-3-carbonitrile (CID 15680118) is 2-amino-5-phenylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-phenylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-phenylthiophene-3-carbonitrile is N#Cc1cc(-c2ccccc2)sc1N.
What is the InChIKey of 2-amino-5-phenylthiophene-3-carbonitrile?
The InChIKey is WEAZGHUZIQFNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2.
What are the key properties of 2-amino-5-phenylthiophene-3-carbonitrile?
2-amino-5-phenylthiophene-3-carbonitrile has a molecular weight of 200.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenylthiophene-3-carbonitrile is sourced from PubChem (CID 15680118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).