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

C14H14F3N3O2S — CID 2939431

IUPAC2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESC/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C
InChIInChI=1S/C14H14F3N3O2S/c1-18-13-20(2)12(22)10(23-13)7-11(21)19-9-5-3-4-8(6-9)14(15,16)17/h3-6,10H,7H2,1-2H3,(H,19,21)/b18-13+
InChIKeyRQNSMEBTBJWQAR-QGOAFFKASA-N
MW345.35 g/mol
LogP2.59
Rot. Bonds3

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

2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2939431) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2939431
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESC/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C
InChIInChI=1S/C14H14F3N3O2S/c1-18-13-20(2)12(22)10(23-13)7-11(21)19-9-5-3-4-8(6-9)14(15,16)17/h3-6,10H,7H2,1-2H3,(H,19,21)/b18-13+
InChIKeyRQNSMEBTBJWQAR-QGOAFFKASA-N
XLogP2.59
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
CID 166572
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
Butamisole
CID 76964745
1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate
CID 2833590
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
N-(2,4-dimethylphenyl)-2-(3-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 2981149
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
5-Propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135950129

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2939431) is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is C/N=C1/SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C.
What is the InChIKey of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RQNSMEBTBJWQAR-QGOAFFKASA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-18-13-20(2)12(22)10(23-13)7-11(21)19-9-5-3-4-8(6-9)14(15,16)17/h3-6,10H,7H2,1-2H3,(H,19,21)/b18-13+.
What are the key properties of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 345.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2939431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).