4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol

C23H19N3O3S — CID 135841653

IUPAC4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N=c2\scc(-c3ccccc3)n2-c2ccc(O)cc2)ccc1O
InChIInChI=1S/C23H19N3O3S/c1-29-22-13-16(7-12-21(22)28)14-24-25-23-26(18-8-10-19(27)11-9-18)20(15-30-23)17-5-3-2-4-6-17/h2-15,27-28H,1H3/b24-14+,25-23-
InChIKeySBVRLMNSGAUOIQ-ROBZNLLGSA-N
MW417.49 g/mol
LogP4.56
Rot. Bonds5

About 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135841653) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135841653
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N=c2\scc(-c3ccccc3)n2-c2ccc(O)cc2)ccc1O
InChIInChI=1S/C23H19N3O3S/c1-29-22-13-16(7-12-21(22)28)14-24-25-23-26(18-8-10-19(27)11-9-18)20(15-30-23)17-5-3-2-4-6-17/h2-15,27-28H,1H3/b24-14+,25-23-
InChIKeySBVRLMNSGAUOIQ-ROBZNLLGSA-N
XLogP4.56
TPSA79.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 137295298
2-[(2Z)-2-[(E)-(3-methoxyphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazol-4-yl]benzene-1,4-diol
CID 86575459
2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 1359152
(Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-imine
CID 6017220
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 71830947
2-[(2E,5R)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136911111
2-[2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135601193
2-[(Z)-[(Z)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911200
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
[4-[(E)-[(Z)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenyl] 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 166628694
2-[[2-[2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]acetic acid
CID 135851287

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol (CID 135841653) is 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N/N=c2\scc(-c3ccccc3)n2-c2ccc(O)cc2)ccc1O.
What is the InChIKey of 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is SBVRLMNSGAUOIQ-ROBZNLLGSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-29-22-13-16(7-12-21(22)28)14-24-25-23-26(18-8-10-19(27)11-9-18)20(15-30-23)17-5-3-2-4-6-17/h2-15,27-28H,1H3/b24-14+,25-23-.
What are the key properties of 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 417.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135841653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).