2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C18H21FN4O2S — CID 135735433

IUPAC2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O2S/c19-13-9-5-6-10-14(13)20-16(24)11-15-17(25)21-18(26-15)23-22-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8,11H2,(H,20,24)(H,21,23,25)
InChIKeyFBEUGYHAKAAKEI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.45
Rot. Bonds4

About 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 135735433) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID135735433
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O2S/c19-13-9-5-6-10-14(13)20-16(24)11-15-17(25)21-18(26-15)23-22-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8,11H2,(H,20,24)(H,21,23,25)
InChIKeyFBEUGYHAKAAKEI-UHFFFAOYSA-N
XLogP3.45
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
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

2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 137241419
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-phenyl-acetamide
CID 135441944
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571
N-(2-fluorophenyl)-2-{4-hydroxy-2-[(3,5,5-trimethyl-2-cyclohexen-1-ylidene)hydrazono]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 135426281
2-[2-(Cycloheptylidene-hydrazono)-4-hydroxy-2,5-dihydro-thiazol-5-yl]-N-(2-trifluoromethyl-phenyl)-acetamide
CID 135693223
N-(4-bromo-2-fluorophenyl)-2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135735426
[2-(Cycloheptylidene-hydrazono)-4-oxo-3-phenyl-thiazolidin-5-yl]-acetic acid
CID 6374050
2-{2-[(1-cyclohexylethylidene)hydrazono]-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl}-N-(2-fluorophenyl)acetamide
CID 135426268
2-(2-amino-4-oxo-thiazol-5-yl)-N-phenyl-acetamide
CID 137629446
N-(4-fluorophenyl)-2-[(2Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 2870409
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 3147899
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-fluorophenyl)acetamide
CID 3337423

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 135735433) is 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is O=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccccc1F.
What is the InChIKey of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is FBEUGYHAKAAKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c19-13-9-5-6-10-14(13)20-16(24)11-15-17(25)21-18(26-15)23-22-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8,11H2,(H,20,24)(H,21,23,25).
What are the key properties of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 135735433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).