2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile

C14H13NS — CID 82081204

IUPAC2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile
SMILESCc1ccc(C(C#N)Cc2cccs2)cc1
InChIInChI=1S/C14H13NS/c1-11-4-6-12(7-5-11)13(10-15)9-14-3-2-8-16-14/h2-8,13H,9H2,1H3
InChIKeyGJWWZLJWXYJCOY-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.91
Rot. Bonds3

About 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile

2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile (PubChem CID 82081204) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile
PubChem CID82081204
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile
SMILESCc1ccc(C(C#N)Cc2cccs2)cc1
InChIInChI=1S/C14H13NS/c1-11-4-6-12(7-5-11)13(10-15)9-14-3-2-8-16-14/h2-8,13H,9H2,1H3
InChIKeyGJWWZLJWXYJCOY-UHFFFAOYSA-N
XLogP3.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
CID 79437348
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110296604
N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110306927
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
2-(4-methylphenyl)-3-(4-nitrophenyl)propanenitrile
CID 82139969
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 106312517

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile?
The IUPAC name of 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile (CID 82081204) is 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile is Cc1ccc(C(C#N)Cc2cccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile?
The InChIKey is GJWWZLJWXYJCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-11-4-6-12(7-5-11)13(10-15)9-14-3-2-8-16-14/h2-8,13H,9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile?
2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile has a molecular weight of 227.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 82081204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).