3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile

C16H10N2S — CID 55219786

IUPAC3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H10N2S/c17-10-12-5-4-8-14(9-12)15-11-19-16(18-15)13-6-2-1-3-7-13/h1-9,11H
InChIKeyQHLOUAOTEJRTQJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.35
Rot. Bonds2

About 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile

3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile (PubChem CID 55219786) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
PubChem CID55219786
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H10N2S/c17-10-12-5-4-8-14(9-12)15-11-19-16(18-15)13-6-2-1-3-7-13/h1-9,11H
InChIKeyQHLOUAOTEJRTQJ-UHFFFAOYSA-N
XLogP4.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile?
The IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile (CID 55219786) is 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile.
What is the SMILES notation for 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile?
The canonical SMILES for 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile is N#Cc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile?
The InChIKey is QHLOUAOTEJRTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S/c17-10-12-5-4-8-14(9-12)15-11-19-16(18-15)13-6-2-1-3-7-13/h1-9,11H.
What are the key properties of 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile?
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile has a molecular weight of 262.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile is sourced from PubChem (CID 55219786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).