2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H11BrN4O2S — CID 168575217

IUPAC2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(Oc3ccc(Br)cn3)c2)N1
InChIInChI=1S/C15H11BrN4O2S/c16-11-4-5-14(17-8-11)22-12-3-1-2-10(6-12)7-18-20-15-19-13(21)9-23-15/h1-8H,9H2,(H,19,20,21)
InChIKeyNDROMGCQVAFBBR-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.19
Rot. Bonds4

About 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575217) has the molecular formula C15H11BrN4O2S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575217
Molecular FormulaC15H11BrN4O2S
Molecular Weight391.25 g/mol
Exact Mass389.98
IUPAC Name2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cccc(Oc3ccc(Br)cn3)c2)N1
InChIInChI=1S/C15H11BrN4O2S/c16-11-4-5-14(17-8-11)22-12-3-1-2-10(6-12)7-18-20-15-19-13(21)9-23-15/h1-8H,9H2,(H,19,20,21)
InChIKeyNDROMGCQVAFBBR-UHFFFAOYSA-N
XLogP3.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
[3-[(E)-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-bromobenzenesulfonate
CID 135576357
2-[[3-(methoxymethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574514
2-[[3-(2-methoxyethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576478
[3-[[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 2,5-dibromobenzenesulfonate
CID 135777967
2-[[4-(5-bromo-2-pyridinyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576053
2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573973
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[[3-[(2-bromo-5-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574089
(2Z)-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135529664
2-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574260
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575217) is 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cccc(Oc3ccc(Br)cn3)c2)N1.
What is the InChIKey of 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NDROMGCQVAFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2S/c16-11-4-5-14(17-8-11)22-12-3-1-2-10(6-12)7-18-20-15-19-13(21)9-23-15/h1-8H,9H2,(H,19,20,21).
What are the key properties of 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 391.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).