4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol

C17H15N3O3S — CID 135511397

IUPAC4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESCOc1ccc(-c2csc(N/N=C/c3ccc(O)cc3O)n2)cc1
InChIInChI=1S/C17H15N3O3S/c1-23-14-6-3-11(4-7-14)15-10-24-17(19-15)20-18-9-12-2-5-13(21)8-16(12)22/h2-10,21-22H,1H3,(H,19,20)/b18-9+
InChIKeyOPHSBZIWFGRMFT-GIJQJNRQSA-N
MW341.39 g/mol
LogP3.68
Rot. Bonds5

About 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135511397) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135511397
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESCOc1ccc(-c2csc(N/N=C/c3ccc(O)cc3O)n2)cc1
InChIInChI=1S/C17H15N3O3S/c1-23-14-6-3-11(4-7-14)15-10-24-17(19-15)20-18-9-12-2-5-13(21)8-16(12)22/h2-10,21-22H,1H3,(H,19,20)/b18-9+
InChIKeyOPHSBZIWFGRMFT-GIJQJNRQSA-N
XLogP3.68
TPSA86.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol (CID 135511397) is 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol is COc1ccc(-c2csc(N/N=C/c3ccc(O)cc3O)n2)cc1.
What is the InChIKey of 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is OPHSBZIWFGRMFT-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-14-6-3-11(4-7-14)15-10-24-17(19-15)20-18-9-12-2-5-13(21)8-16(12)22/h2-10,21-22H,1H3,(H,19,20)/b18-9+.
What are the key properties of 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 341.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135511397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).