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

C16H19N3O3S — CID 168574240

IUPAC2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(COCC3CCCO3)c2)N1
InChIInChI=1S/C16H19N3O3S/c20-15-11-23-16(18-15)19-17-8-12-3-1-4-13(7-12)9-21-10-14-5-2-6-22-14/h1,3-4,7-8,14H,2,5-6,9-11H2,(H,18,19,20)
InChIKeyKERACMBGJOKFCG-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.94
Rot. Bonds6

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

2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574240) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574240
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(COCC3CCCO3)c2)N1
InChIInChI=1S/C16H19N3O3S/c20-15-11-23-16(18-15)19-17-8-12-3-1-4-13(7-12)9-21-10-14-5-2-6-22-14/h1,3-4,7-8,14H,2,5-6,9-11H2,(H,18,19,20)
InChIKeyKERACMBGJOKFCG-UHFFFAOYSA-N
XLogP1.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine
CID 168529344
2-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574260
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
4-methyl-N-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617353
2-[[4-(cyclohexyloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574250
bis((3-fluorophenyl)methanol);(2S)-2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 142540594
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
methyl 4-[3-[3-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]propoxy]benzoate
CID 168574877

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574240) is 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cccc(COCC3CCCO3)c2)N1.
What is the InChIKey of 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KERACMBGJOKFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-15-11-23-16(18-15)19-17-8-12-3-1-4-13(7-12)9-21-10-14-5-2-6-22-14/h1,3-4,7-8,14H,2,5-6,9-11H2,(H,18,19,20).
What are the key properties of 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 333.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).