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

C18H18ClF3N4O2S — CID 135600068

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N/N=C2CCCCC2)NC1=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N4O2S/c19-10-6-7-13(12(8-10)18(20,21)22)23-15(27)9-14-16(28)24-17(29-14)26-25-11-4-2-1-3-5-11/h6-8,14H,1-5,9H2,(H,23,27)(H,24,26,28)/t14-/m0/s1
InChIKeyDGYOVTHHLHLFSA-AWEZNQCLSA-N
MW446.88 g/mol
LogP4.60
Rot. Bonds4

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135600068) has the molecular formula C18H18ClF3N4O2S and a molecular weight of 446.88 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135600068
Molecular FormulaC18H18ClF3N4O2S
Molecular Weight446.88 g/mol
Exact Mass446.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1S/C(=N/N=C2CCCCC2)NC1=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N4O2S/c19-10-6-7-13(12(8-10)18(20,21)22)23-15(27)9-14-16(28)24-17(29-14)26-25-11-4-2-1-3-5-11/h6-8,14H,1-5,9H2,(H,23,27)(H,24,26,28)/t14-/m0/s1
InChIKeyDGYOVTHHLHLFSA-AWEZNQCLSA-N
XLogP4.60
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.60
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-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135589758
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135589748
2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 136886862
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828423
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135518483
2-[(2E)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135555691
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 135532243
N-(4-acetylphenyl)-2-[(2Z,5S)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136858491
N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135539235
2-[2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 172919886
2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 86261538

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135600068) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@@H]1S/C(=N/N=C2CCCCC2)NC1=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is DGYOVTHHLHLFSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClF3N4O2S/c19-10-6-7-13(12(8-10)18(20,21)22)23-15(27)9-14-16(28)24-17(29-14)26-25-11-4-2-1-3-5-11/h6-8,14H,1-5,9H2,(H,23,27)(H,24,26,28)/t14-/m0/s1.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 446.88 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135600068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).