2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile

C14H14N2S — CID 82028214

IUPAC2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile
SMILESCCc1sc(N)c(C#N)c1-c1ccc(C)cc1
InChIInChI=1S/C14H14N2S/c1-3-12-13(11(8-15)14(16)17-12)10-6-4-9(2)5-7-10/h4-7H,3,16H2,1-2H3
InChIKeyRIVVMIVIZFURAW-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.74
Rot. Bonds2

About 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile

2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile (PubChem CID 82028214) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile
PubChem CID82028214
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile
SMILESCCc1sc(N)c(C#N)c1-c1ccc(C)cc1
InChIInChI=1S/C14H14N2S/c1-3-12-13(11(8-15)14(16)17-12)10-6-4-9(2)5-7-10/h4-7H,3,16H2,1-2H3
InChIKeyRIVVMIVIZFURAW-UHFFFAOYSA-N
XLogP3.74
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diamino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 70988037
2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile
CID 82028218
2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
CID 4290243
2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
CID 82028197
2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634975
ethyl 4-cyano-3-[4-(5-cyanothiophen-2-yl)phenyl]-5-ethylthiophene-2-carboxylate
CID 58873139
ethyl 2-amino-4-(4-chlorophenyl)-5-ethylthiophene-3-carboxylate
CID 39079161
ethane;ethyl 4-cyano-3-(4-methylphenyl)-5-methylsulfinylthiophene-2-carboxylate
CID 143082047
5-amino-3-(4-chlorophenyl)-4-cyanothiophene-2-carboxylic acid
CID 54763675
ethyl 3,6-diamino-5-cyano-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 23775054

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile (CID 82028214) is 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile is CCc1sc(N)c(C#N)c1-c1ccc(C)cc1.
What is the InChIKey of 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
The InChIKey is RIVVMIVIZFURAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-3-12-13(11(8-15)14(16)17-12)10-6-4-9(2)5-7-10/h4-7H,3,16H2,1-2H3.
What are the key properties of 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile?
2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile has a molecular weight of 242.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 82028214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).