4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile

C18H10N4S — CID 52747155

IUPAC4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile
SMILESN#C/C(=C/c1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H10N4S/c19-10-14-3-1-13(2-4-14)9-16(11-20)18-22-17(12-23-18)15-5-7-21-8-6-15/h1-9,12H/b16-9-
InChIKeyWGZVDAVVALKXEC-SXGWCWSVSA-N
MW314.37 g/mol
LogP4.14
Rot. Bonds3

About 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile

4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile (PubChem CID 52747155) has the molecular formula C18H10N4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile
PubChem CID52747155
Molecular FormulaC18H10N4S
Molecular Weight314.37 g/mol
Exact Mass314.06
IUPAC Name4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile
SMILESN#C/C(=C/c1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H10N4S/c19-10-14-3-1-13(2-4-14)9-16(11-20)18-22-17(12-23-18)15-5-7-21-8-6-15/h1-9,12H/b16-9-
InChIKeyWGZVDAVVALKXEC-SXGWCWSVSA-N
XLogP4.14
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 75409758
N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide
CID 52747125
3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2837945
(Z)-3-(4-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 20833627
3-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 630432
3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 4288930
(Z)-3-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 5286444
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enenitrile
CID 2840675
3-[4-(dimethylamino)phenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2839828
(Z)-3-(4-methoxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7308518
(E)-3-(4-tert-butylphenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18809307
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile
CID 2840464

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile (CID 52747155) is 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile is N#C/C(=C/c1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile?
The InChIKey is WGZVDAVVALKXEC-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H10N4S/c19-10-14-3-1-13(2-4-14)9-16(11-20)18-22-17(12-23-18)15-5-7-21-8-6-15/h1-9,12H/b16-9-.
What are the key properties of 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile?
4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile has a molecular weight of 314.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile is sourced from PubChem (CID 52747155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).