5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile

C14H10N2S — CID 116828195

IUPAC5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(-c2csc3ccccc23)cc1C#N
InChIInChI=1S/C14H10N2S/c1-9-10(7-15)6-13(16-9)12-8-17-14-5-3-2-4-11(12)14/h2-6,8,16H,1H3
InChIKeyBHNFOQZHBFDSAO-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.08
Rot. Bonds1

About 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile

5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile (PubChem CID 116828195) has the molecular formula C14H10N2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile
PubChem CID116828195
Molecular FormulaC14H10N2S
Molecular Weight238.31 g/mol
Exact Mass238.06
IUPAC Name5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(-c2csc3ccccc23)cc1C#N
InChIInChI=1S/C14H10N2S/c1-9-10(7-15)6-13(16-9)12-8-17-14-5-3-2-4-11(12)14/h2-6,8,16H,1H3
InChIKeyBHNFOQZHBFDSAO-UHFFFAOYSA-N
XLogP4.08
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828202
2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile
CID 116828196
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217
3-(1-benzothiophen-3-yl)benzonitrile
CID 3358914
5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828138
5-(5-bromo-2-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828179
5-(1-benzothiophen-3-yl)-2-bromo-1H-imidazole
CID 116884338
3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione
CID 82383751
3-methyl-1-benzothiophene;zinc
CID 70563074
5-(2-methoxy-4-propan-2-ylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828140
4-(1-benzothiophen-3-yl)pyrimidine-2-carbonitrile
CID 116900915
3-methyl-5-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130885122

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile (CID 116828195) is 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile is Cc1[nH]c(-c2csc3ccccc23)cc1C#N.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile?
The InChIKey is BHNFOQZHBFDSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-9-10(7-15)6-13(16-9)12-8-17-14-5-3-2-4-11(12)14/h2-6,8,16H,1H3.
What are the key properties of 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile?
5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile has a molecular weight of 238.31 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 116828195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).