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

C14H13ClF3N3O2S — CID 42914987

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C
InChIInChI=1S/C14H13ClF3N3O2S/c1-19-13-21(2)12(23)10(24-13)6-11(22)20-7-3-4-9(15)8(5-7)14(16,17)18/h3-5,10H,6H2,1-2H3,(H,20,22)/b19-13+
InChIKeySGCMMDDVGOTUHJ-CPNJWEJPSA-N
MW379.79 g/mol
LogP3.25
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 42914987) has the molecular formula C14H13ClF3N3O2S and a molecular weight of 379.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID42914987
Molecular FormulaC14H13ClF3N3O2S
Molecular Weight379.79 g/mol
Exact Mass379.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C
InChIInChI=1S/C14H13ClF3N3O2S/c1-19-13-21(2)12(23)10(24-13)6-11(22)20-7-3-4-9(15)8(5-7)14(16,17)18/h3-5,10H,6H2,1-2H3,(H,20,22)/b19-13+
InChIKeySGCMMDDVGOTUHJ-CPNJWEJPSA-N
XLogP3.25
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5S)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 28748456
N-(3,4-dimethylphenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 45143371
2-[(5R)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 28748392
N-(3,5-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42996523
2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 27209464
N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368670
N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3975247
2-[(5R)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077143
2-[(5S)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077146
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 3950474
4-[[2-[2-(4-chloro-3-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3249943

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 42914987) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is C/N=C1/SC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is SGCMMDDVGOTUHJ-CPNJWEJPSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2S/c1-19-13-21(2)12(23)10(24-13)6-11(22)20-7-3-4-9(15)8(5-7)14(16,17)18/h3-5,10H,6H2,1-2H3,(H,20,22)/b19-13+.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 379.79 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 42914987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).