4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile

C12H8N2S — CID 18925381

IUPAC4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile
SMILESC=C(c1ccc(C#N)cc1)c1cncs1
InChIInChI=1S/C12H8N2S/c1-9(12-7-14-8-15-12)11-4-2-10(6-13)3-5-11/h2-5,7-8H,1H2
InChIKeyBVVAHEKMSDKCOR-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.08
Rot. Bonds2

About 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile

4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile (PubChem CID 18925381) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile
PubChem CID18925381
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile
SMILESC=C(c1ccc(C#N)cc1)c1cncs1
InChIInChI=1S/C12H8N2S/c1-9(12-7-14-8-15-12)11-4-2-10(6-13)3-5-11/h2-5,7-8H,1H2
InChIKeyBVVAHEKMSDKCOR-UHFFFAOYSA-N
XLogP3.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 113290784
4-(1-phenylethenyl)benzonitrile
CID 11977035
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297
4-[hydroxy(1,3-thiazol-5-yl)methyl]benzonitrile
CID 18949024
4-[1-hydroxy-1-(1,3-thiazol-5-yl)ethyl]benzonitrile
CID 18925368
4-[5-(4-cyanophenyl)hexa-1,5-dien-2-yl]benzonitrile
CID 122403774
4-[2-hydroxy-1-(1,3-thiazol-5-yl)propan-2-yl]benzonitrile
CID 112642079
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(3-bromoprop-1-en-2-yl)benzonitrile
CID 130210199
4-(1-imidazol-1-ylethenyl)benzonitrile
CID 11819989
4-[1,2-dichloro-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 139674424
2-(4-cyanophenyl)ethene-1,1,2-tricarbonitrile
CID 121012832

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile (CID 18925381) is 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile is C=C(c1ccc(C#N)cc1)c1cncs1.
What is the InChIKey of 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile?
The InChIKey is BVVAHEKMSDKCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c1-9(12-7-14-8-15-12)11-4-2-10(6-13)3-5-11/h2-5,7-8H,1H2.
What are the key properties of 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile?
4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile has a molecular weight of 212.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile is sourced from PubChem (CID 18925381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).