4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile

C14H14N2S — CID 157403563

IUPAC4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile
SMILESCc1cc(C)c(Nc2cscc2C#N)c(C)c1
InChIInChI=1S/C14H14N2S/c1-9-4-10(2)14(11(3)5-9)16-13-8-17-7-12(13)6-15/h4-5,7-8,16H,1-3H3
InChIKeyBNLLPWQQYIFWQA-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.29
Rot. Bonds2

About 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile

4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile (PubChem CID 157403563) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile
PubChem CID157403563
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile
SMILESCc1cc(C)c(Nc2cscc2C#N)c(C)c1
InChIInChI=1S/C14H14N2S/c1-9-4-10(2)14(11(3)5-9)16-13-8-17-7-12(13)6-15/h4-5,7-8,16H,1-3H3
InChIKeyBNLLPWQQYIFWQA-UHFFFAOYSA-N
XLogP4.29
TPSA35.82 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine
CID 101490319
2-N,3-N,6-N,7-N,10-N,11-N-hexakis(2,4,6-trimethylphenyl)triphenylene-2,3,6,7,10,11-hexamine
CID 122204956
4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile
CID 172859984
3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
CID 62684183
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108501524
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
CID 107543299
2-(4-bromo-2,6-dimethylanilino)-5-fluorobenzonitrile
CID 65468036
2-(2-chloro-4,6-dimethylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337375
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
2-amino-3-(4-bromo-2,6-dimethylanilino)benzonitrile
CID 104716856

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile?
The IUPAC name of 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile (CID 157403563) is 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile?
The canonical SMILES for 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile is Cc1cc(C)c(Nc2cscc2C#N)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile?
The InChIKey is BNLLPWQQYIFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-9-4-10(2)14(11(3)5-9)16-13-8-17-7-12(13)6-15/h4-5,7-8,16H,1-3H3.
What are the key properties of 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile?
4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile has a molecular weight of 242.35 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile is sourced from PubChem (CID 157403563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).