2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide

C19H12ClF3N4O2S — CID 171982527

IUPAC2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CC1S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C19H12ClF3N4O2S/c20-13-6-5-11(7-12(13)19(21,22)23)25-18-27-17(29)15(30-18)8-16(28)26-14-4-2-1-3-10(14)9-24/h1-7,15H,8H2,(H,26,28)(H,25,27,29)
InChIKeyUZWPZURCOLAXJU-UHFFFAOYSA-N
MW452.85 g/mol
LogP4.48
Rot. Bonds4

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

2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide (PubChem CID 171982527) has the molecular formula C19H12ClF3N4O2S and a molecular weight of 452.85 g/mol. Its IUPAC name is 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide
PubChem CID171982527
Molecular FormulaC19H12ClF3N4O2S
Molecular Weight452.85 g/mol
Exact Mass452.03
IUPAC Name2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CC1S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C19H12ClF3N4O2S/c20-13-6-5-11(7-12(13)19(21,22)23)25-18-27-17(29)15(30-18)8-16(28)26-14-4-2-1-3-10(14)9-24/h1-7,15H,8H2,(H,26,28)(H,25,27,29)
InChIKeyUZWPZURCOLAXJU-UHFFFAOYSA-N
XLogP4.48
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.85
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135460872
2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135834005
2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691620
N-(2-chlorophenyl)-2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692022
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
N-(2-cyanophenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1163980
N-(2-nitrophenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135816473
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
N-(2-cyanophenyl)-2-[(5R)-2-(3-methylbutan-2-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 137195508
N-(3-chloro-2-methylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691582
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135834011
2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135665664

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide (CID 171982527) is 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CC1S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O.
What is the InChIKey of 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide?
The InChIKey is UZWPZURCOLAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O2S/c20-13-6-5-11(7-12(13)19(21,22)23)25-18-27-17(29)15(30-18)8-16(28)26-14-4-2-1-3-10(14)9-24/h1-7,15H,8H2,(H,26,28)(H,25,27,29).
What are the key properties of 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide?
2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide has a molecular weight of 452.85 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 171982527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).