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

C14H13F3N2O2S2 — CID 18892030

IUPAC2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=S
InChIInChI=1S/C14H13F3N2O2S2/c1-2-19-12(21)10(23-13(19)22)7-11(20)18-9-5-3-4-8(6-9)14(15,16)17/h3-6,10H,2,7H2,1H3,(H,18,20)
InChIKeyWCZVCRWRPMFDKF-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.28
Rot. Bonds4

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

2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 18892030) has the molecular formula C14H13F3N2O2S2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID18892030
Molecular FormulaC14H13F3N2O2S2
Molecular Weight362.40 g/mol
Exact Mass362.04
IUPAC Name2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=S
InChIInChI=1S/C14H13F3N2O2S2/c1-2-19-12(21)10(23-13(19)22)7-11(20)18-9-5-3-4-8(6-9)14(15,16)17/h3-6,10H,2,7H2,1H3,(H,18,20)
InChIKeyWCZVCRWRPMFDKF-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1217933
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 18892023
N-(2-bromophenyl)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892032
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1300512
2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4986025
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53264943
2-[(5S)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2373063
2-[(5R)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41282046
2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18891962
N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 21368655
2-(4-ethyl-3-oxomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2955032
3-[(5E)-4-oxo-5-[4-oxo-3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 6184155

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 18892030) is 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is CCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=S.
What is the InChIKey of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCZVCRWRPMFDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S2/c1-2-19-12(21)10(23-13(19)22)7-11(20)18-9-5-3-4-8(6-9)14(15,16)17/h3-6,10H,2,7H2,1H3,(H,18,20).
What are the key properties of 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18892030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).