(2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one

C13H14BrN3OS — CID 135935784

IUPAC(2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C(\C)c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C13H14BrN3OS/c1-3-11-12(18)15-13(19-11)17-16-8(2)9-4-6-10(14)7-5-9/h4-7,11H,3H2,1-2H3,(H,15,17,18)/b16-8-
InChIKeyCSCSIQBUYKBJIC-PXNMLYILSA-N
MW340.25 g/mol
LogP3.17
Rot. Bonds3

About (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 135935784) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
PubChem CID135935784
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name(2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C(\C)c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C13H14BrN3OS/c1-3-11-12(18)15-13(19-11)17-16-8(2)9-4-6-10(14)7-5-9/h4-7,11H,3H2,1-2H3,(H,15,17,18)/b16-8-
InChIKeyCSCSIQBUYKBJIC-PXNMLYILSA-N
XLogP3.17
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.17
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

5-[(4-bromophenyl)methyl]-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135502494
(2E,5S)-5-[(4-bromophenyl)methyl]-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749689
(2Z,5S)-5-[(4-bromophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135920461
2-[(E)-[1-(4-bromophenyl)-2-phenoxyethylidene]hydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 172918418
2-[(2Z)-2-[(E)-1-(4-ethylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135531551
2-[(2Z)-2-[(E)-1-(4-hydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135897268
2-[(2E,5S)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135845629
2-[(2E)-2-[1-(4-methylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135753305
N-ethyl-2-[4-oxo-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 172942517
2-[(2Z,5R)-2-[(E)-1-(4-ethoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136714328
N-ethyl-2-[(5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137085060
5-benzyl-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505620

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one (CID 135935784) is (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one is CCC1S/C(=N\N=C(\C)c2ccc(Br)cc2)NC1=O.
What is the InChIKey of (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is CSCSIQBUYKBJIC-PXNMLYILSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-3-11-12(18)15-13(19-11)17-16-8(2)9-4-6-10(14)7-5-9/h4-7,11H,3H2,1-2H3,(H,15,17,18)/b16-8-.
What are the key properties of (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 340.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-1-(4-bromophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135935784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).