2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H9BrClN3O2S — CID 168574653

IUPAC2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(Br)c(Cl)c1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H9BrClN3O2S/c1-18-8-3-2-7(12)10(13)6(8)4-14-16-11-15-9(17)5-19-11/h2-4H,5H2,1H3,(H,15,16,17)
InChIKeyOZFHAORRLRJAKL-UHFFFAOYSA-N
MW362.64 g/mol
LogP2.66
Rot. Bonds3

About 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574653) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574653
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC Name2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(Br)c(Cl)c1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H9BrClN3O2S/c1-18-8-3-2-7(12)10(13)6(8)4-14-16-11-15-9(17)5-19-11/h2-4H,5H2,1H3,(H,15,16,17)
InChIKeyOZFHAORRLRJAKL-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-[(2-chloro-6-fluoro-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574458
2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576442
2-[(2-iodo-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574738
2-[[3-bromo-2-methoxy-6-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574577
2-[(2-chloro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576222
2-[(4-bromo-3-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574692
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[[6-bromo-2-fluoro-3-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574384
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576126
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
2-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575546

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574653) is 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(Br)c(Cl)c1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is OZFHAORRLRJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-18-8-3-2-7(12)10(13)6(8)4-14-16-11-15-9(17)5-19-11/h2-4H,5H2,1H3,(H,15,16,17).
What are the key properties of 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 362.64 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).