2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile

C13H12N2S — CID 16784974

IUPAC2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc(N)c2C#N)c(C)c1
InChIInChI=1S/C13H12N2S/c1-8-3-4-10(9(2)5-8)12-7-16-13(15)11(12)6-14/h3-5,7H,15H2,1-2H3
InChIKeyDFGLGYIFILCDSN-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.49
Rot. Bonds1

About 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile

2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile (PubChem CID 16784974) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile
PubChem CID16784974
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc(N)c2C#N)c(C)c1
InChIInChI=1S/C13H12N2S/c1-8-3-4-10(9(2)5-8)12-7-16-13(15)11(12)6-14/h3-5,7H,15H2,1-2H3
InChIKeyDFGLGYIFILCDSN-UHFFFAOYSA-N
XLogP3.49
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-cyano-4-methyl-5-phenylthiophene
CID 308248
2-Amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
CID 672396
2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
3-Thiophenecarbonitrile, 2-amino-4-(2,5-dimethylphenyl)-
CID 672398
2-Amino-4-(4-fluorophenyl)thiophene-3-carbonitrile
CID 3477107
2-Amino-4-phenyl-3-thiophenecarbonitrile
CID 4646120
2-Amino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 11586552
2-Amino-5-phenylthiophene-3-carbonitrile
CID 15680118
5-Amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophene-2,4-dicarbonitrile
CID 54771191
5-Amino-3-(2,4-difluorophenyl)thiophene-2,4-dicarbonitrile
CID 54771192
2-Amino-4,5-dihydronaphtho[2,1-b]thiophene-1-carbonitrile
CID 614712
2-Amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 4384255

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile (CID 16784974) is 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile is Cc1ccc(-c2csc(N)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile?
The InChIKey is DFGLGYIFILCDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-8-3-4-10(9(2)5-8)12-7-16-13(15)11(12)6-14/h3-5,7H,15H2,1-2H3.
What are the key properties of 2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile?
2-amino-4-(2,4-dimethylphenyl)thiophene-3-carbonitrile has a molecular weight of 228.32 g/mol, XLogP of 3.49, 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)thiophene-3-carbonitrile is sourced from PubChem (CID 16784974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).