2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile

C16H10N2S — CID 116889919

IUPAC2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H10N2S/c17-10-15-11-19-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H
InChIKeyFWQIGDKPPLDBIE-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.35
Rot. Bonds2

About 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile

2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile (PubChem CID 116889919) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
PubChem CID116889919
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H10N2S/c17-10-15-11-19-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H
InChIKeyFWQIGDKPPLDBIE-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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Related Compounds

2-(4-cyclohexylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889911
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
2-phenyl-1,3-thiazol-4-ol
CID 568728
2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile
CID 146331597
2-(3,4-dihydro-2H-thiochromen-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889966
5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 133348791
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922
2-(3-chloro-4-ethoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 116889928
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
CID 125449136
2-(2,4,5-trimethylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889937
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile (CID 116889919) is 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile is N#Cc1csc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile?
The InChIKey is FWQIGDKPPLDBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S/c17-10-15-11-19-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11H.
What are the key properties of 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile?
2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile 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 2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 116889919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).