methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate

C18H14F2N2O4S — CID 16643911

IUPACmethyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate
SMILESCOC(=O)CN(c1ccc(F)cc1)C1SC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H14F2N2O4S/c1-26-15(23)10-21(13-6-2-11(19)3-7-13)17-16(24)22(18(25)27-17)14-8-4-12(20)5-9-14/h2-9,17H,10H2,1H3
InChIKeyVUGMTQAUIVFLCL-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.17
Rot. Bonds5

About methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate

methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate (PubChem CID 16643911) has the molecular formula C18H14F2N2O4S and a molecular weight of 392.38 g/mol. Its IUPAC name is methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate
PubChem CID16643911
Molecular FormulaC18H14F2N2O4S
Molecular Weight392.38 g/mol
Exact Mass392.06
IUPAC Namemethyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate
SMILESCOC(=O)CN(c1ccc(F)cc1)C1SC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H14F2N2O4S/c1-26-15(23)10-21(13-6-2-11(19)3-7-13)17-16(24)22(18(25)27-17)14-8-4-12(20)5-9-14/h2-9,17H,10H2,1H3
InChIKeyVUGMTQAUIVFLCL-UHFFFAOYSA-N
XLogP3.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate?
The IUPAC name of methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate (CID 16643911) is methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate.
What is the SMILES notation for methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate?
The canonical SMILES for methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate is COC(=O)CN(c1ccc(F)cc1)C1SC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate?
The InChIKey is VUGMTQAUIVFLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4S/c1-26-15(23)10-21(13-6-2-11(19)3-7-13)17-16(24)22(18(25)27-17)14-8-4-12(20)5-9-14/h2-9,17H,10H2,1H3.
What are the key properties of methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate?
methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate has a molecular weight of 392.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-N-[3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]anilino)acetate is sourced from PubChem (CID 16643911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).