2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C14H17N3O2S — CID 168575234

IUPAC2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C=NN=C2NC(=O)CS2)cc1O
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)10-5-4-9(6-11(10)18)7-15-17-13-16-12(19)8-20-13/h4-7,18H,8H2,1-3H3,(H,16,17,19)
InChIKeyMTCWOWJBECBTNN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.24
Rot. Bonds2

About 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575234) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575234
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C=NN=C2NC(=O)CS2)cc1O
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)10-5-4-9(6-11(10)18)7-15-17-13-16-12(19)8-20-13/h4-7,18H,8H2,1-3H3,(H,16,17,19)
InChIKeyMTCWOWJBECBTNN-UHFFFAOYSA-N
XLogP2.24
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.24
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-hydroxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzoic acid
CID 168574666
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
(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
2-[(3-oxoisoindol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576387
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574665
2-[[4-(4-methylphenoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575298
2-[(4-methoxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576131
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575234) is 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C=NN=C2NC(=O)CS2)cc1O.
What is the InChIKey of 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MTCWOWJBECBTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)10-5-4-9(6-11(10)18)7-15-17-13-16-12(19)8-20-13/h4-7,18H,8H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 291.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).