(Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

C24H16N2OS — CID 135419105

IUPAC(Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H16N2OS/c25-15-21(14-17-6-12-22(27)13-7-17)24-26-23(16-28-24)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-14,16,27H/b21-14-
InChIKeyABOWILHEYHYDIN-STZFKDTASA-N
MW380.47 g/mol
LogP6.25
Rot. Bonds4

About (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

(Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (PubChem CID 135419105) has the molecular formula C24H16N2OS and a molecular weight of 380.47 g/mol. Its IUPAC name is (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
PubChem CID135419105
Molecular FormulaC24H16N2OS
Molecular Weight380.47 g/mol
Exact Mass380.10
IUPAC Name(Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H16N2OS/c25-15-21(14-17-6-12-22(27)13-7-17)24-26-23(16-28-24)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-14,16,27H/b21-14-
InChIKeyABOWILHEYHYDIN-STZFKDTASA-N
XLogP6.25
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093377
4-(2-Methyl-1,3-thiazol-4-yl)phenol
CID 591743
4-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093376
4-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 135923569
2-(2-Phenyl-1,3-thiazol-4-yl)phenol
CID 800850
4-(4-Methyl-1,3-thiazol-2-yl)phenol
CID 4962900
3-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 135899472
Cyclopentylidene-[4-(2-hydroxy-phenyl)-thiazol-2-yl]-acetonitrile
CID 649354
(E)-2-(4-(4-hydroxyphenyl)thiazol-2-yl)-3-(4-isopropylphenyl)acrylonitrile
CID 5731419
(Z)-2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-3-(4-butoxyphenyl)acrylonitrile
CID 7089055
4-(4-Tert-butyl-1,3-thiazol-2-yl)phenol
CID 4962777
2-[4-(2-Hydroxyphenyl)(1,3-thiazol-2-yl)]-2-(3-methylcyclohexylidene)ethanenit rile
CID 3150759

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CID 135419105) is (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is N#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The InChIKey is ABOWILHEYHYDIN-STZFKDTASA-N. The full InChI is InChI=1S/C24H16N2OS/c25-15-21(14-17-6-12-22(27)13-7-17)24-26-23(16-28-24)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-14,16,27H/b21-14-.
What are the key properties of (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
(Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile has a molecular weight of 380.47 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-hydroxyphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is sourced from PubChem (CID 135419105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).