5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide

C15H10F3N3O3S2 — CID 134483287

IUPAC5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide
SMILESO=C(NN=C1SCC(=O)N1c1cccc(C(F)(F)F)c1)c1ccc(O)s1
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)8-2-1-3-9(6-8)21-11(22)7-25-14(21)20-19-13(24)10-4-5-12(23)26-10/h1-6,23H,7H2,(H,19,24)
InChIKeyVAGXLDAZSPVENK-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.25
Rot. Bonds3

About 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide

5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide (PubChem CID 134483287) has the molecular formula C15H10F3N3O3S2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide
PubChem CID134483287
Molecular FormulaC15H10F3N3O3S2
Molecular Weight401.39 g/mol
Exact Mass401.01
IUPAC Name5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide
SMILESO=C(NN=C1SCC(=O)N1c1cccc(C(F)(F)F)c1)c1ccc(O)s1
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)8-2-1-3-9(6-8)21-11(22)7-25-14(21)20-19-13(24)10-4-5-12(23)26-10/h1-6,23H,7H2,(H,19,24)
InChIKeyVAGXLDAZSPVENK-UHFFFAOYSA-N
XLogP3.25
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 139220997
3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 134815215
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
4-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]piperazine-2,6-dione
CID 154285486
methyl 5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-pyrrole-4-carboxylate
CID 745103
3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 42625459
3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 139220978
5-acetyl-6-methyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-2-one
CID 11565616
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
N-[[3-(2,3-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-nitrobenzamide
CID 3147132
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
2-hydroxy-4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-5-carbothioyl]amino]benzoic acid
CID 44561740

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide (CID 134483287) is 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide is O=C(NN=C1SCC(=O)N1c1cccc(C(F)(F)F)c1)c1ccc(O)s1.
What is the InChIKey of 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide?
The InChIKey is VAGXLDAZSPVENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S2/c16-15(17,18)8-2-1-3-9(6-8)21-11(22)7-25-14(21)20-19-13(24)10-4-5-12(23)26-10/h1-6,23H,7H2,(H,19,24).
What are the key properties of 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide?
5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 134483287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).