2-(dimethylamino)-4-phenylthiophene-3-carbonitrile

C13H12N2S — CID 2819877

IUPAC2-(dimethylamino)-4-phenylthiophene-3-carbonitrile
SMILESCN(C)c1scc(-c2ccccc2)c1C#N
InChIInChI=1S/C13H12N2S/c1-15(2)13-11(8-14)12(9-16-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeySQIDPAKJMQVJJT-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.35
Rot. Bonds2

About 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile

2-(dimethylamino)-4-phenylthiophene-3-carbonitrile (PubChem CID 2819877) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-4-phenylthiophene-3-carbonitrile
PubChem CID2819877
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-(dimethylamino)-4-phenylthiophene-3-carbonitrile
SMILESCN(C)c1scc(-c2ccccc2)c1C#N
InChIInChI=1S/C13H12N2S/c1-15(2)13-11(8-14)12(9-16-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKeySQIDPAKJMQVJJT-UHFFFAOYSA-N
XLogP3.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile?
The IUPAC name of 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile (CID 2819877) is 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile is CN(C)c1scc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile?
The InChIKey is SQIDPAKJMQVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-15(2)13-11(8-14)12(9-16-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile?
2-(dimethylamino)-4-phenylthiophene-3-carbonitrile has a molecular weight of 228.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-phenylthiophene-3-carbonitrile is sourced from PubChem (CID 2819877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).