N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

C18H14ClF3N4O2S2 — CID 3388173

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)SC1=Nc1nccs1
InChIInChI=1S/C18H14ClF3N4O2S2/c1-2-6-26-15(28)13(30-17(26)25-16-23-5-7-29-16)9-14(27)24-12-8-10(18(20,21)22)3-4-11(12)19/h2-5,7-8,13H,1,6,9H2,(H,24,27)
InChIKeyVEWBQSNQQMGSTJ-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.96
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3388173) has the molecular formula C18H14ClF3N4O2S2 and a molecular weight of 474.92 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID3388173
Molecular FormulaC18H14ClF3N4O2S2
Molecular Weight474.92 g/mol
Exact Mass474.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)SC1=Nc1nccs1
InChIInChI=1S/C18H14ClF3N4O2S2/c1-2-6-26-15(28)13(30-17(26)25-16-23-5-7-29-16)9-14(27)24-12-8-10(18(20,21)22)3-4-11(12)19/h2-5,7-8,13H,1,6,9H2,(H,24,27)
InChIKeyVEWBQSNQQMGSTJ-UHFFFAOYSA-N
XLogP4.96
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 4713584
2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4986025
5-(2-hydroxyethyl)-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 4628784
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 9498712
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2185155
N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3975247
N-(3,5-dimethylphenyl)-2-[(2E)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21368980
2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 11836371
2-[(2Z)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6253119
N-(2,3-dichlorophenyl)-2-[(5S)-2-(3,4-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1498567
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 1218059
2-[(5S)-2-(3-chloro-2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 27523379

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide (CID 3388173) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide is C=CCN1C(=O)C(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)SC1=Nc1nccs1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VEWBQSNQQMGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2S2/c1-2-6-26-15(28)13(30-17(26)25-16-23-5-7-29-16)9-14(27)24-12-8-10(18(20,21)22)3-4-11(12)19/h2-5,7-8,13H,1,6,9H2,(H,24,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 474.92 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3388173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).