3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile

C13H11FN2OS — CID 82121908

IUPAC3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile
SMILESCOc1ccc(F)cc1-c1c(C)sc(C#N)c1N
InChIInChI=1S/C13H11FN2OS/c1-7-12(13(16)11(6-15)18-7)9-5-8(14)3-4-10(9)17-2/h3-5H,16H2,1-2H3
InChIKeyJOOATCSWMJMPDN-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.33
Rot. Bonds2

About 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile

3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile (PubChem CID 82121908) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile
PubChem CID82121908
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile
SMILESCOc1ccc(F)cc1-c1c(C)sc(C#N)c1N
InChIInChI=1S/C13H11FN2OS/c1-7-12(13(16)11(6-15)18-7)9-5-8(14)3-4-10(9)17-2/h3-5H,16H2,1-2H3
InChIKeyJOOATCSWMJMPDN-UHFFFAOYSA-N
XLogP3.33
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile
CID 82121012
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
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-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 94285487
2-(dimethylamino)-6-(5-fluoro-2-methoxyphenyl)pyridine-3-carbonitrile
CID 94280993
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
CID 103759966
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile (CID 82121908) is 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile is COc1ccc(F)cc1-c1c(C)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile?
The InChIKey is JOOATCSWMJMPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-7-12(13(16)11(6-15)18-7)9-5-8(14)3-4-10(9)17-2/h3-5H,16H2,1-2H3.
What are the key properties of 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile?
3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5-fluoro-2-methoxyphenyl)-5-methylthiophene-2-carbonitrile is sourced from PubChem (CID 82121908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).