N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C19H17FN4O4S — CID 135471874

IUPACN-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccccc3F)S2)ccc1O
InChIInChI=1S/C19H17FN4O4S/c1-28-15-8-11(6-7-14(15)25)10-21-24-19-23-18(27)16(29-19)9-17(26)22-13-5-3-2-4-12(13)20/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyLKJJUICYWPBMQU-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.49
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135471874) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135471874
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC NameN-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccccc3F)S2)ccc1O
InChIInChI=1S/C19H17FN4O4S/c1-28-15-8-11(6-7-14(15)25)10-21-24-19-23-18(27)16(29-19)9-17(26)22-13-5-3-2-4-12(13)20/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyLKJJUICYWPBMQU-UHFFFAOYSA-N
XLogP2.49
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135471874) is N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccccc3F)S2)ccc1O.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is LKJJUICYWPBMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-28-15-8-11(6-7-14(15)25)10-21-24-19-23-18(27)16(29-19)9-17(26)22-13-5-3-2-4-12(13)20/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 416.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135471874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).