(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile

C18H12N2OS — CID 2212670

IUPAC(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile
SMILESN#C/C(=C\C=C\c1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12N2OS/c19-12-15(8-4-9-16-10-5-11-21-16)18-20-17(13-22-18)14-6-2-1-3-7-14/h1-11,13H/b9-4+,15-8+
InChIKeyZDMBFARHZHYVFJ-NRCQFBCTSA-N
MW304.37 g/mol
LogP5.02
Rot. Bonds4

About (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile

(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile (PubChem CID 2212670) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile
PubChem CID2212670
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile
SMILESN#C/C(=C\C=C\c1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H12N2OS/c19-12-15(8-4-9-16-10-5-11-21-16)18-20-17(13-22-18)14-6-2-1-3-7-14/h1-11,13H/b9-4+,15-8+
InChIKeyZDMBFARHZHYVFJ-NRCQFBCTSA-N
XLogP5.02
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-5-(furan-2-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
CID 1299454
5-(furan-2-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
CID 1299452
3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2837945
(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 7070992
(2Z,4E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
CID 1352095
(2Z,4E)-5-(furan-2-yl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)penta-2,4-dienenitrile
CID 51096526
(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 75409758
3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3824630
(Z)-3-(4-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 20833627
3-(5-methylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2841121
3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 4288930
(Z)-3-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7121264

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile (CID 2212670) is (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile is N#C/C(=C\C=C\c1ccco1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile?
The InChIKey is ZDMBFARHZHYVFJ-NRCQFBCTSA-N. The full InChI is InChI=1S/C18H12N2OS/c19-12-15(8-4-9-16-10-5-11-21-16)18-20-17(13-22-18)14-6-2-1-3-7-14/h1-11,13H/b9-4+,15-8+.
What are the key properties of (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile?
(2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile has a molecular weight of 304.37 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)penta-2,4-dienenitrile is sourced from PubChem (CID 2212670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).