(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile

C17H11N3S — CID 75409758

IUPAC(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccncc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H11N3S/c18-11-15(10-13-6-8-19-9-7-13)17-20-16(12-21-17)14-4-2-1-3-5-14/h1-10,12H/b15-10-
InChIKeyIVDNLJUPXUXJSL-GDNBJRDFSA-N
MW289.36 g/mol
LogP4.27
Rot. Bonds3

About (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile

(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile (PubChem CID 75409758) has the molecular formula C17H11N3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
PubChem CID75409758
Molecular FormulaC17H11N3S
Molecular Weight289.36 g/mol
Exact Mass289.07
IUPAC Name(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccncc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H11N3S/c18-11-15(10-13-6-8-19-9-7-13)17-20-16(12-21-17)14-4-2-1-3-5-14/h1-10,12H/b15-10-
InChIKeyIVDNLJUPXUXJSL-GDNBJRDFSA-N
XLogP4.27
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile (CID 75409758) is (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile is N#C/C(=C/c1ccncc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile?
The InChIKey is IVDNLJUPXUXJSL-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H11N3S/c18-11-15(10-13-6-8-19-9-7-13)17-20-16(12-21-17)14-4-2-1-3-5-14/h1-10,12H/b15-10-.
What are the key properties of (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile?
(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile has a molecular weight of 289.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 75409758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).