2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H17FN4O2S — CID 168574151

IUPAC2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(CN3CCOCC3)c(F)c2)N1
InChIInChI=1S/C15H17FN4O2S/c16-13-7-11(8-17-19-15-18-14(21)10-23-15)1-2-12(13)9-20-3-5-22-6-4-20/h1-2,7-8H,3-6,9-10H2,(H,18,19,21)
InChIKeyCWAABUXDBZNDGP-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.21
Rot. Bonds4

About 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574151) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574151
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccc(CN3CCOCC3)c(F)c2)N1
InChIInChI=1S/C15H17FN4O2S/c16-13-7-11(8-17-19-15-18-14(21)10-23-15)1-2-12(13)9-20-3-5-22-6-4-20/h1-2,7-8H,3-6,9-10H2,(H,18,19,21)
InChIKeyCWAABUXDBZNDGP-UHFFFAOYSA-N
XLogP1.21
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.21
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-[[4-(cyclohexylmethoxymethyl)-3-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574162
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[[4-(thiomorpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574296
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574428
2-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574177
2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574712
2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574340
5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598045
2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997
2-[[3-(trifluoromethyl)-1-benzothiophen-6-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575084
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574151) is 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccc(CN3CCOCC3)c(F)c2)N1.
What is the InChIKey of 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CWAABUXDBZNDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c16-13-7-11(8-17-19-15-18-14(21)10-23-15)1-2-12(13)9-20-3-5-22-6-4-20/h1-2,7-8H,3-6,9-10H2,(H,18,19,21).
What are the key properties of 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 336.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).