2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H10FN3O2S — CID 168576126

IUPAC2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(F)cc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H10FN3O2S/c1-17-9-3-2-8(12)4-7(9)5-13-15-11-14-10(16)6-18-11/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyHILXIMVTZNYSKC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.39
Rot. Bonds3

About 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576126) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576126
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(F)cc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H10FN3O2S/c1-17-9-3-2-8(12)4-7(9)5-13-15-11-14-10(16)6-18-11/h2-5H,6H2,1H3,(H,14,15,16)
InChIKeyHILXIMVTZNYSKC-UHFFFAOYSA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.39
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

(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574571
[4-fluoro-2-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574608
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575616
2-[(2-chloro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576222
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-[(2,4-dihydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576197
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576623
(2E)-2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135634727
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135558880

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576126) is 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(F)cc1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HILXIMVTZNYSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-17-9-3-2-8(12)4-7(9)5-13-15-11-14-10(16)6-18-11/h2-5H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).