2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C14H15F2N3O2S — CID 168574330

IUPAC2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCOc1cc(C=NN=C2NC(=O)CS2)cc(F)c1F
InChIInChI=1S/C14H15F2N3O2S/c1-2-3-4-21-11-6-9(5-10(15)13(11)16)7-17-19-14-18-12(20)8-22-14/h5-7H,2-4,8H2,1H3,(H,18,19,20)
InChIKeyJTXSIWBYXGLILQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.70
Rot. Bonds6

About 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574330) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574330
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCOc1cc(C=NN=C2NC(=O)CS2)cc(F)c1F
InChIInChI=1S/C14H15F2N3O2S/c1-2-3-4-21-11-6-9(5-10(15)13(11)16)7-17-19-14-18-12(20)8-22-14/h5-7H,2-4,8H2,1H3,(H,18,19,20)
InChIKeyJTXSIWBYXGLILQ-UHFFFAOYSA-N
XLogP2.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-butoxy-4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574302
2-[(4-butoxy-3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574300
2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997
2-[(4-nonoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574506
2-[(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576004
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574334
2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573973
2-[[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575339
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135399232
2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576511

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574330) is 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCOc1cc(C=NN=C2NC(=O)CS2)cc(F)c1F.
What is the InChIKey of 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JTXSIWBYXGLILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-2-3-4-21-11-6-9(5-10(15)13(11)16)7-17-19-14-18-12(20)8-22-14/h5-7H,2-4,8H2,1H3,(H,18,19,20).
What are the key properties of 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 327.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).