2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H15N3O2S — CID 168576544

IUPAC2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(-c3ccc(CO)cc3)c2)N1
InChIInChI=1S/C17H15N3O2S/c21-10-12-4-6-14(7-5-12)15-3-1-2-13(8-15)9-18-20-17-19-16(22)11-23-17/h1-9,21H,10-11H2,(H,19,20,22)
InChIKeyHPQMRVOGGOKZIM-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.40
Rot. Bonds4

About 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576544) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576544
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(-c3ccc(CO)cc3)c2)N1
InChIInChI=1S/C17H15N3O2S/c21-10-12-4-6-14(7-5-12)15-3-1-2-13(8-15)9-18-20-17-19-16(22)11-23-17/h1-9,21H,10-11H2,(H,19,20,22)
InChIKeyHPQMRVOGGOKZIM-UHFFFAOYSA-N
XLogP2.40
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574049
2-[[3-(3,4-dimethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573879
2-[[2-[3-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576543
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574428
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[[3-(methoxymethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574514
2-[[3-(2-methoxyethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576478
2-[(8-bromonaphthalen-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575180
2-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574260
4-[[3-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168574061

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576544) is 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cccc(-c3ccc(CO)cc3)c2)N1.
What is the InChIKey of 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HPQMRVOGGOKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-10-12-4-6-14(7-5-12)15-3-1-2-13(8-15)9-18-20-17-19-16(22)11-23-17/h1-9,21H,10-11H2,(H,19,20,22).
What are the key properties of 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 325.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).