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

C16H10ClF3N4O2S — CID 168574896

IUPAC2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)N1
InChIInChI=1S/C16H10ClF3N4O2S/c17-12-5-10(16(18,19)20)7-21-14(12)26-11-3-1-9(2-4-11)6-22-24-15-23-13(25)8-27-15/h1-7H,8H2,(H,23,24,25)
InChIKeyIJQDRQOLNBPHNZ-UHFFFAOYSA-N
MW414.80 g/mol
LogP4.10
Rot. Bonds4

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

2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574896) has the molecular formula C16H10ClF3N4O2S and a molecular weight of 414.80 g/mol. Its IUPAC name is 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574896
Molecular FormulaC16H10ClF3N4O2S
Molecular Weight414.80 g/mol
Exact Mass414.02
IUPAC Name2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)N1
InChIInChI=1S/C16H10ClF3N4O2S/c17-12-5-10(16(18,19)20)7-21-14(12)26-11-3-1-9(2-4-11)6-22-24-15-23-13(25)8-27-15/h1-7H,8H2,(H,23,24,25)
InChIKeyIJQDRQOLNBPHNZ-UHFFFAOYSA-N
XLogP4.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.80
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574896) is 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)N1.
What is the InChIKey of 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IJQDRQOLNBPHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2S/c17-12-5-10(16(18,19)20)7-21-14(12)26-11-3-1-9(2-4-11)6-22-24-15-23-13(25)8-27-15/h1-7H,8H2,(H,23,24,25).
What are the key properties of 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 414.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).