5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C16H13N3O2S — CID 168577394

IUPAC5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1cc(O)cc(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H13N3O2S/c20-13-6-11(7-14(21)8-13)9-17-19-16-18-15(10-22-16)12-4-2-1-3-5-12/h1-10,20-21H,(H,18,19)
InChIKeyKMWJQUITGPREGO-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.67
Rot. Bonds4

About 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 168577394) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID168577394
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1cc(O)cc(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H13N3O2S/c20-13-6-11(7-14(21)8-13)9-17-19-16-18-15(10-22-16)12-4-2-1-3-5-12/h1-10,20-21H,(H,18,19)
InChIKeyKMWJQUITGPREGO-UHFFFAOYSA-N
XLogP3.67
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
3-methoxy-5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135571881
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168579252
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-[(E)-[4-[(E)-4-[2,6-dimethyl-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]but-2-enoxy]-3,5-dimethylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 139235135
2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845141

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 168577394) is 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1cc(O)cc(C=NNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is KMWJQUITGPREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-13-6-11(7-14(21)8-13)9-17-19-16-18-15(10-22-16)12-4-2-1-3-5-12/h1-10,20-21H,(H,18,19).
What are the key properties of 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 311.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 168577394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).