2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H8F3N3OS2 — CID 168575084

IUPAC2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc3c(C(F)(F)F)csc3c2)N1
InChIInChI=1S/C13H8F3N3OS2/c14-13(15,16)9-5-21-10-3-7(1-2-8(9)10)4-17-19-12-18-11(20)6-22-12/h1-5H,6H2,(H,18,19,20)
InChIKeyHEVBKEHUFSPUFW-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.47
Rot. Bonds2

About 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575084) has the molecular formula C13H8F3N3OS2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575084
Molecular FormulaC13H8F3N3OS2
Molecular Weight343.36 g/mol
Exact Mass343.01
IUPAC Name2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc3c(C(F)(F)F)csc3c2)N1
InChIInChI=1S/C13H8F3N3OS2/c14-13(15,16)9-5-21-10-3-7(1-2-8(9)10)4-17-19-12-18-11(20)6-22-12/h1-5H,6H2,(H,18,19,20)
InChIKeyHEVBKEHUFSPUFW-UHFFFAOYSA-N
XLogP3.47
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.47
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-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[(4-tert-butyl-3-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575234
2-[[4-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575426
2-[(3-oxoisoindol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576387
2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575339
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574712
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574665
2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575066
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574428

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575084) is 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc3c(C(F)(F)F)csc3c2)N1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HEVBKEHUFSPUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS2/c14-13(15,16)9-5-21-10-3-7(1-2-8(9)10)4-17-19-12-18-11(20)6-22-12/h1-5H,6H2,(H,18,19,20).
What are the key properties of 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).