3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile

C13H12N2O2S — CID 82121444

IUPAC3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1ccc(OC)c(-c2csc(C#N)c2N)c1
InChIInChI=1S/C13H12N2O2S/c1-16-8-3-4-11(17-2)9(5-8)10-7-18-12(6-14)13(10)15/h3-5,7H,15H2,1-2H3
InChIKeyGSUDYZKVYPBVQC-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile

3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile (PubChem CID 82121444) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
PubChem CID82121444
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1ccc(OC)c(-c2csc(C#N)c2N)c1
InChIInChI=1S/C13H12N2O2S/c1-16-8-3-4-11(17-2)9(5-8)10-7-18-12(6-14)13(10)15/h3-5,7H,15H2,1-2H3
InChIKeyGSUDYZKVYPBVQC-UHFFFAOYSA-N
XLogP2.89
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 82115667
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
CID 83819711
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile
CID 82121012
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 94283491
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 82117371

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile (CID 82121444) is 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile is COc1ccc(OC)c(-c2csc(C#N)c2N)c1.
What is the InChIKey of 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile?
The InChIKey is GSUDYZKVYPBVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-16-8-3-4-11(17-2)9(5-8)10-7-18-12(6-14)13(10)15/h3-5,7H,15H2,1-2H3.
What are the key properties of 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile?
3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile has a molecular weight of 260.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 82121444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).