2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile

C15H16N2S — CID 71565192

IUPAC2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2csc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2S/c1-15(2,3)11-6-4-10(5-7-11)13-9-18-14(17)12(13)8-16/h4-7,9H,17H2,1-3H3
InChIKeyGBVZNEQVPWZQBA-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.17
Rot. Bonds1

About 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile

2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile (PubChem CID 71565192) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile
PubChem CID71565192
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2csc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2S/c1-15(2,3)11-6-4-10(5-7-11)13-9-18-14(17)12(13)8-16/h4-7,9H,17H2,1-3H3
InChIKeyGBVZNEQVPWZQBA-UHFFFAOYSA-N
XLogP4.17
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-(4-tert-butylphenyl)-2-methylbenzonitrile
CID 134120690
2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
CID 71565212
3-[4-(5-amino-4-cyanothiophen-3-yl)phenoxy]propane-1-sulfonic acid
CID 90088946
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
methyl 3-amino-4-(4-tert-butylphenyl)thiophene-2-carboxylate
CID 83971360
2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 16790602
2-amino-4-(2,4-dichlorophenyl)thiophene-3-carbonitrile
CID 672395
4-[4-(4-tert-butylphenyl)phenyl]benzonitrile
CID 68636211
2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile
CID 55045756
2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile
CID 141275983
2-amino-4-methoxythiophene-3-carbonitrile
CID 22902760
4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile
CID 11859415

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile (CID 71565192) is 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile is CC(C)(C)c1ccc(-c2csc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile?
The InChIKey is GBVZNEQVPWZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-15(2,3)11-6-4-10(5-7-11)13-9-18-14(17)12(13)8-16/h4-7,9H,17H2,1-3H3.
What are the key properties of 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile?
2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile has a molecular weight of 256.37 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 71565192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).