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

C17H19FN4O2S — CID 135408383

IUPAC2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2S/c18-11-6-8-12(9-7-11)19-15(23)10-14-16(24)20-17(25-14)22-21-13-4-2-1-3-5-13/h6-9,14H,1-5,10H2,(H,19,23)(H,20,22,24)
InChIKeyCDKGJLWDJYWMRV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds4

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

2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 135408383) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
PubChem CID135408383
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2S/c18-11-6-8-12(9-7-11)19-15(23)10-14-16(24)20-17(25-14)22-21-13-4-2-1-3-5-13/h6-9,14H,1-5,10H2,(H,19,23)(H,20,22,24)
InChIKeyCDKGJLWDJYWMRV-UHFFFAOYSA-N
XLogP3.06
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
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-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 7196648
2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 135735433
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-phenyl-acetamide
CID 135441944
1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
CID 2840626
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-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 7196644
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2,4-difluorophenyl)acetamide
CID 7196649
2-{2-[(1-cyclohexylethylidene)hydrazono]-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl}-N-(2-fluorophenyl)acetamide
CID 135426268

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (CID 135408383) is 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is O=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is CDKGJLWDJYWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c18-11-6-8-12(9-7-11)19-15(23)10-14-16(24)20-17(25-14)22-21-13-4-2-1-3-5-13/h6-9,14H,1-5,10H2,(H,19,23)(H,20,22,24).
What are the key properties of 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?
2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 135408383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).