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

C19H21F3N4O2S — CID 135693223

IUPAC2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N4O2S/c20-19(21,22)13-9-5-6-10-14(13)23-16(27)11-15-17(28)24-18(29-15)26-25-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8,11H2,(H,23,27)(H,24,26,28)
InChIKeyQQERNXPHMYXBSR-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.33
Rot. Bonds4

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

2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 135693223) has the molecular formula C19H21F3N4O2S and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID135693223
Molecular FormulaC19H21F3N4O2S
Molecular Weight426.46 g/mol
Exact Mass426.13
IUPAC Name2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N4O2S/c20-19(21,22)13-9-5-6-10-14(13)23-16(27)11-15-17(28)24-18(29-15)26-25-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8,11H2,(H,23,27)(H,24,26,28)
InChIKeyQQERNXPHMYXBSR-UHFFFAOYSA-N
XLogP4.33
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.33
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

N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 135735433
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
2-[(2Z)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 137241419
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-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide
CID 135437943
2-{2-[(1-cyclohexylethylidene)hydrazono]-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl}-N-(2-fluorophenyl)acetamide
CID 135426268
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3245042
2-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2867206
2-[2-(cyclohexylidenehydrazono)-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl]-N-(4-fluorophenyl)acetamide
CID 135408383
2-((6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 135533543
N-(2-fluorophenyl)-2-[(2E)-4-oxo-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135558947

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 135693223) is 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CC1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QQERNXPHMYXBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2S/c20-19(21,22)13-9-5-6-10-14(13)23-16(27)11-15-17(28)24-18(29-15)26-25-12-7-3-1-2-4-8-12/h5-6,9-10,15H,1-4,7-8,11H2,(H,23,27)(H,24,26,28).
What are the key properties of 2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(2E)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.46 g/mol, XLogP of 4.33, 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-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135693223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).