2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H6BrCl2N3OS — CID 168576442

IUPAC2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(Br)c(Cl)c2Cl)N1
InChIInChI=1S/C10H6BrCl2N3OS/c11-6-2-1-5(8(12)9(6)13)3-14-16-10-15-7(17)4-18-10/h1-3H,4H2,(H,15,16,17)
InChIKeyDSKOWNADPZADBU-UHFFFAOYSA-N
MW367.06 g/mol
LogP3.31
Rot. Bonds2

About 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576442) has the molecular formula C10H6BrCl2N3OS and a molecular weight of 367.06 g/mol. Its IUPAC name is 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576442
Molecular FormulaC10H6BrCl2N3OS
Molecular Weight367.06 g/mol
Exact Mass364.88
IUPAC Name2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(Br)c(Cl)c2Cl)N1
InChIInChI=1S/C10H6BrCl2N3OS/c11-6-2-1-5(8(12)9(6)13)3-14-16-10-15-7(17)4-18-10/h1-3H,4H2,(H,15,16,17)
InChIKeyDSKOWNADPZADBU-UHFFFAOYSA-N
XLogP3.31
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2-chloro-6-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574653
2-[(4-bromo-3-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574692
2-[[2-bromo-5-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575869
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(2-chloro-3,5-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576582
2-[[4-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575426
2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574956
2-[(3-bromo-4-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574626
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573853
2-[[6-bromo-2-fluoro-3-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574384
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576442) is 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(Br)c(Cl)c2Cl)N1.
What is the InChIKey of 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DSKOWNADPZADBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3OS/c11-6-2-1-5(8(12)9(6)13)3-14-16-10-15-7(17)4-18-10/h1-3H,4H2,(H,15,16,17).
What are the key properties of 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 367.06 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).