2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile

C14H14N2S — CID 82028197

IUPAC2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
SMILESCc1ccc(-c2c(C)sc(N)c2C#N)c(C)c1
InChIInChI=1S/C14H14N2S/c1-8-4-5-11(9(2)6-8)13-10(3)17-14(16)12(13)7-15/h4-6H,16H2,1-3H3
InChIKeyLYWZIHWLHOSOGT-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.79
Rot. Bonds1

About 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile

2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile (PubChem CID 82028197) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
PubChem CID82028197
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
SMILESCc1ccc(-c2c(C)sc(N)c2C#N)c(C)c1
InChIInChI=1S/C14H14N2S/c1-8-4-5-11(9(2)6-8)13-10(3)17-14(16)12(13)7-15/h4-6H,16H2,1-3H3
InChIKeyLYWZIHWLHOSOGT-UHFFFAOYSA-N
XLogP3.79
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
2,5-diamino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 70988037
2-amino-4-(2,4-dimethylphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634508
2-amino-4-(2,4-dimethylphenyl)-5-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 82056715
2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 82028214
3-amino-5-(2,4-dimethylphenyl)-4-propylthiophene-2-carbonitrile
CID 79413049
3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile
CID 82121012
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366303
2-amino-5-methyl-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 154734310
2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3326015
2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3396959
3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene
CID 59167091

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile (CID 82028197) is 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile is Cc1ccc(-c2c(C)sc(N)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile?
The InChIKey is LYWZIHWLHOSOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-8-4-5-11(9(2)6-8)13-10(3)17-14(16)12(13)7-15/h4-6H,16H2,1-3H3.
What are the key properties of 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile?
2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile has a molecular weight of 242.35 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile is sourced from PubChem (CID 82028197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).