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'}

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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).