(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one

C14H16BrN3OS — CID 135794082

IUPAC(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N\N=C\c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C14H16BrN3OS/c1-2-3-4-12-13(19)17-14(20-12)18-16-9-10-5-7-11(15)8-6-10/h5-9,12H,2-4H2,1H3,(H,17,18,19)/b16-9+
InChIKeyWNCOHYROCMZWCB-CXUHLZMHSA-N
MW354.27 g/mol
LogP3.56
Rot. Bonds5

About (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one (PubChem CID 135794082) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one
PubChem CID135794082
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N\N=C\c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C14H16BrN3OS/c1-2-3-4-12-13(19)17-14(20-12)18-16-9-10-5-7-11(15)8-6-10/h5-9,12H,2-4H2,1H3,(H,17,18,19)/b16-9+
InChIKeyWNCOHYROCMZWCB-CXUHLZMHSA-N
XLogP3.56
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.56
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

(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135820684
(2E)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135437549
5-ethyl-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135476302
5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172936341
[4-[(Z)-[(Z)-[(5R)-5-decyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 136911566
2-[(2Z,5R)-2-[(Z)-(4-butoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135622445
(2E)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135847141
(2E)-2-[(4-butoxyphenyl)methylidenehydrazinylidene]-5-[(4-butylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135779238
2-[2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 137221024
2-[2-[(4-butylsulfanylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620226
(2E)-5-[(4-ethylphenyl)methyl]-2-[(4-octoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135562721

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one (CID 135794082) is (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one is CCCCC1S/C(=N\N=C\c2ccc(Br)cc2)NC1=O.
What is the InChIKey of (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one?
The InChIKey is WNCOHYROCMZWCB-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-2-3-4-12-13(19)17-14(20-12)18-16-9-10-5-7-11(15)8-6-10/h5-9,12H,2-4H2,1H3,(H,17,18,19)/b16-9+.
What are the key properties of (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one has a molecular weight of 354.27 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135794082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).