(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H11N3OS — CID 135547320

IUPAC(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/C=N/N=C2\NC(=O)CS2)c1
InChIInChI=1S/C11H11N3OS/c1-8-3-2-4-9(5-8)6-12-14-11-13-10(15)7-16-11/h2-6H,7H2,1H3,(H,13,14,15)/b12-6+
InChIKeyQUOUWBNQWWABSO-WUXMJOGZSA-N
MW233.30 g/mol
LogP1.55
Rot. Bonds2

About (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135547320) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135547320
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(/C=N/N=C2\NC(=O)CS2)c1
InChIInChI=1S/C11H11N3OS/c1-8-3-2-4-9(5-8)6-12-14-11-13-10(15)7-16-11/h2-6H,7H2,1H3,(H,13,14,15)/b12-6+
InChIKeyQUOUWBNQWWABSO-WUXMJOGZSA-N
XLogP1.55
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(Benzylideneamino)-2-imino-1,3-thiazolidin-4-one
CID 9586207
4-Bromobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135444060
Benzaldehyde, (4,5-dihydro-5-methyl-4-oxo-2-thiazolyl)hydrazone
CID 135438845
3-[(2-phenylethyl)thio]-1,2,4-triazin-5(4H)-one
CID 135485459
3-[(3-Methylbenzyl)sulfanyl]-1,2,4-triazin-5-ol
CID 135509367
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
4-Fluorobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-YL)hydrazone
CID 135631924
2-[2-(2-Methylbenzylidene)hydrazono]-1,3-thiazinan-4-one
CID 135544961
(2E)-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135536623
(2E)-2-{(2E)-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628899
2-[(2E)-2-(3-bromobenzylidene)hydrazinyl]-1,3-thiazol-4(5H)-one
CID 135641774
(2E)-2-[(E)-(3-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066072

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135547320) is (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1cccc(/C=N/N=C2\NC(=O)CS2)c1.
What is the InChIKey of (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is QUOUWBNQWWABSO-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-3-2-4-9(5-8)6-12-14-11-13-10(15)7-16-11/h2-6H,7H2,1H3,(H,13,14,15)/b12-6+.
What are the key properties of (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 233.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(3-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135547320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).