2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile

C11H8N2S — CID 14782782

IUPAC2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile
SMILESN#CC(c1ccccc1)c1cncs1
InChIInChI=1S/C11H8N2S/c12-6-10(11-7-13-8-14-11)9-4-2-1-3-5-9/h1-5,7-8,10H
InChIKeyQXCLFLOXGTWMMZ-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.80
Rot. Bonds2

About 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile

2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile (PubChem CID 14782782) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile
PubChem CID14782782
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile
SMILESN#CC(c1ccccc1)c1cncs1
InChIInChI=1S/C11H8N2S/c12-6-10(11-7-13-8-14-11)9-4-2-1-3-5-9/h1-5,7-8,10H
InChIKeyQXCLFLOXGTWMMZ-UHFFFAOYSA-N
XLogP2.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[phenyl(1,3-thiazol-5-yl)methyl]hydrazine
CID 105253614
2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
CID 14023164
(2S)-2-(4-chloro-3-pyridinyl)-2-phenylacetonitrile
CID 124638927
4-[hydroxy(1,3-thiazol-5-yl)methyl]benzonitrile
CID 18949024
2-phenyl-2-(6-phenyl-1,2,4-triazin-3-yl)acetonitrile
CID 15504350
(2R,3S)-2-(3-bromophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495151
(2S,3S)-2-(3-bromophenyl)-5-hydroxy-3-(1,3-thiazol-5-yl)pentanenitrile
CID 125495150
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
2-phenyl-2-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)acetonitrile
CID 132648143
(2S)-2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile
CID 1484067

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile (CID 14782782) is 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile is N#CC(c1ccccc1)c1cncs1.
What is the InChIKey of 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile?
The InChIKey is QXCLFLOXGTWMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-6-10(11-7-13-8-14-11)9-4-2-1-3-5-9/h1-5,7-8,10H.
What are the key properties of 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile?
2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile has a molecular weight of 200.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 14782782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).