2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H7ClF3N3O2S — CID 168575227

IUPAC2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(OC(F)(F)F)c(Cl)c2)N1
InChIInChI=1S/C11H7ClF3N3O2S/c12-7-3-6(1-2-8(7)20-11(13,14)15)4-16-18-10-17-9(19)5-21-10/h1-4H,5H2,(H,17,18,19)
InChIKeyBOOVZQZOVYOSAA-UHFFFAOYSA-N
MW337.71 g/mol
LogP2.79
Rot. Bonds3

About 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575227) has the molecular formula C11H7ClF3N3O2S and a molecular weight of 337.71 g/mol. Its IUPAC name is 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575227
Molecular FormulaC11H7ClF3N3O2S
Molecular Weight337.71 g/mol
Exact Mass336.99
IUPAC Name2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(OC(F)(F)F)c(Cl)c2)N1
InChIInChI=1S/C11H7ClF3N3O2S/c12-7-3-6(1-2-8(7)20-11(13,14)15)4-16-18-10-17-9(19)5-21-10/h1-4H,5H2,(H,17,18,19)
InChIKeyBOOVZQZOVYOSAA-UHFFFAOYSA-N
XLogP2.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575227) is 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(OC(F)(F)F)c(Cl)c2)N1.
What is the InChIKey of 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BOOVZQZOVYOSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2S/c12-7-3-6(1-2-8(7)20-11(13,14)15)4-16-18-10-17-9(19)5-21-10/h1-4H,5H2,(H,17,18,19).
What are the key properties of 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 337.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).