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

C14H16FN3O2S — CID 168574288

IUPAC2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C14H16FN3O2S/c1-2-3-4-20-12-6-10(5-11(15)7-12)8-16-18-14-17-13(19)9-21-14/h5-8H,2-4,9H2,1H3,(H,17,18,19)
InChIKeyLSMWAYCMYGXVCE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.56
Rot. Bonds6

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

2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574288) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574288
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C14H16FN3O2S/c1-2-3-4-20-12-6-10(5-11(15)7-12)8-16-18-14-17-13(19)9-21-14/h5-8H,2-4,9H2,1H3,(H,17,18,19)
InChIKeyLSMWAYCMYGXVCE-UHFFFAOYSA-N
XLogP2.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.56
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'}

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Related Compounds

2-[(3,4-Dimethoxybenzylidene)hydrazono] thiazolidin-4-one
CID 135454338
(2E)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135419868
(Z)-2-((Z)-(4-Ethoxy-3-methoxybenzoylidine)hydrazono)thiazolidine-4-one (17)
CID 136161879
(2E)-2-{(2E)-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628897
3-methoxybenzaldehyde [(2E)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135981156
(Z)-2-((Z)-(4-(Dimethyl amino)benzylodine)hydrazono)thiazolidine-4-one (12)
CID 135572138
2-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-1,3-thiazol-4(5H)-one
CID 135641784
(2Z)-2-[(E)-(3-methoxy-4-phenoxy-phenyl)methylenehydrazono]thiazolidin-4-one
CID 135511258
(2Z)-2-[(2E)-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}hydrazinylidene]-1,3-thiazolidin-4-one
CID 135404066
2-(4-Methoxy-benzylidenehydrazono)-thiazolidin-4-one
CID 137179754
4-(Benzyloxy)benzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135421221
(2E)-2-[(Z)-[2-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135796408

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574288) is 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1.
What is the InChIKey of 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LSMWAYCMYGXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-2-3-4-20-12-6-10(5-11(15)7-12)8-16-18-14-17-13(19)9-21-14/h5-8H,2-4,9H2,1H3,(H,17,18,19).
What are the key properties of 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxy-5-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).