3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile

C14H14N2OS — CID 82121012

IUPAC3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile
SMILESCOc1ccc(C)cc1-c1c(C)sc(C#N)c1N
InChIInChI=1S/C14H14N2OS/c1-8-4-5-11(17-3)10(6-8)13-9(2)18-12(7-15)14(13)16/h4-6H,16H2,1-3H3
InChIKeyYYTQWHYXAAEODM-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.49
Rot. Bonds2

About 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile

3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile (PubChem CID 82121012) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile
PubChem CID82121012
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile
SMILESCOc1ccc(C)cc1-c1c(C)sc(C#N)c1N
InChIInChI=1S/C14H14N2OS/c1-8-4-5-11(17-3)10(6-8)13-9(2)18-12(7-15)14(13)16/h4-6H,16H2,1-3H3
InChIKeyYYTQWHYXAAEODM-UHFFFAOYSA-N
XLogP3.49
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile
CID 82121908
3-(2-methoxy-5-methylphenyl)benzonitrile
CID 39245698
6-(2-methoxy-5-methylphenyl)-2-methylpyridine-3-carbonitrile
CID 82453336
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
5-(2-methoxy-5-methylphenyl)-1,2-thiazol-3-amine
CID 83910475
3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
CID 82121444
3-amino-5-methyl-4-(4-propan-2-ylphenyl)thiophene-2-carbonitrile
CID 82120575
2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
CID 82028197
3-amino-6-methyl-1-benzothiophene-2-carbonitrile
CID 130969369
5-(2-methoxy-5-methylphenyl)-6-methyl-2-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888892
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile (CID 82121012) is 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile is COc1ccc(C)cc1-c1c(C)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile?
The InChIKey is YYTQWHYXAAEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-8-4-5-11(17-3)10(6-8)13-9(2)18-12(7-15)14(13)16/h4-6H,16H2,1-3H3.
What are the key properties of 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile?
3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile is sourced from PubChem (CID 82121012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).