2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H19N3O2S — CID 168576079

IUPAC2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC=CCc1cc(C=NN=C2NC(=O)CS2)ccc1OC(C)C
InChIInChI=1S/C16H19N3O2S/c1-4-5-13-8-12(6-7-14(13)21-11(2)3)9-17-19-16-18-15(20)10-22-16/h4,6-9,11H,1,5,10H2,2-3H3,(H,18,19,20)
InChIKeyUNUFXRURARDAHG-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.76
Rot. Bonds6

About 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576079) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576079
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC=CCc1cc(C=NN=C2NC(=O)CS2)ccc1OC(C)C
InChIInChI=1S/C16H19N3O2S/c1-4-5-13-8-12(6-7-14(13)21-11(2)3)9-17-19-16-18-15(20)10-22-16/h4,6-9,11H,1,5,10H2,2-3H3,(H,18,19,20)
InChIKeyUNUFXRURARDAHG-UHFFFAOYSA-N
XLogP2.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576131
2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573975
2-[(4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573861
2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576322
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575248
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574334
[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate
CID 168573950
2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576511
2-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576641
4-methoxy-3-[[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzaldehyde
CID 168575463

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576079) is 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is C=CCc1cc(C=NN=C2NC(=O)CS2)ccc1OC(C)C.
What is the InChIKey of 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UNUFXRURARDAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-4-5-13-8-12(6-7-14(13)21-11(2)3)9-17-19-16-18-15(20)10-22-16/h4,6-9,11H,1,5,10H2,2-3H3,(H,18,19,20).
What are the key properties of 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 317.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).