2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

C19H12F4N2O3S — CID 2163100

IUPAC2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccc(C(F)(F)F)c2)C1=O)Nc1ccccc1F
InChIInChI=1S/C19H12F4N2O3S/c20-13-6-1-2-7-14(13)24-16(26)10-25-17(27)15(29-18(25)28)9-11-4-3-5-12(8-11)19(21,22)23/h1-9H,10H2,(H,24,26)/b15-9-
InChIKeyWHHRURJZAXYPMT-DHDCSXOGSA-N
MW424.38 g/mol
LogP4.52
Rot. Bonds4

About 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 2163100) has the molecular formula C19H12F4N2O3S and a molecular weight of 424.38 g/mol. Its IUPAC name is 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
PubChem CID2163100
Molecular FormulaC19H12F4N2O3S
Molecular Weight424.38 g/mol
Exact Mass424.05
IUPAC Name2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccc(C(F)(F)F)c2)C1=O)Nc1ccccc1F
InChIInChI=1S/C19H12F4N2O3S/c20-13-6-1-2-7-14(13)24-16(26)10-25-17(27)15(29-18(25)28)9-11-4-3-5-12(8-11)19(21,22)23/h1-9H,10H2,(H,24,26)/b15-9-
InChIKeyWHHRURJZAXYPMT-DHDCSXOGSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide (CID 2163100) is 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)S/C(=C\c2cccc(C(F)(F)F)c2)C1=O)Nc1ccccc1F.
What is the InChIKey of 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is WHHRURJZAXYPMT-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H12F4N2O3S/c20-13-6-1-2-7-14(13)24-16(26)10-25-17(27)15(29-18(25)28)9-11-4-3-5-12(8-11)19(21,22)23/h1-9H,10H2,(H,24,26)/b15-9-.
What are the key properties of 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 424.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-2,4-dioxo-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2163100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).