5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C18H12F4N4O4S — CID 168900475

IUPAC5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(-c3cn(-c4ccc(C(F)(F)F)cc4)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C18H12F4N4O4S/c19-16-12(5-6-14(27)17(16)26-8-15(28)24-31(26,29)30)13-7-25(9-23-13)11-3-1-10(2-4-11)18(20,21)22/h1-7,9,27H,8H2,(H,24,28)
InChIKeyDZJGGTKVRGQYJC-UHFFFAOYSA-N
MW456.38 g/mol
LogP2.58
Rot. Bonds3

About 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900475) has the molecular formula C18H12F4N4O4S and a molecular weight of 456.38 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900475
Molecular FormulaC18H12F4N4O4S
Molecular Weight456.38 g/mol
Exact Mass456.05
IUPAC Name5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(-c3cn(-c4ccc(C(F)(F)F)cc4)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C18H12F4N4O4S/c19-16-12(5-6-14(27)17(16)26-8-15(28)24-31(26,29)30)13-7-25(9-23-13)11-3-1-10(2-4-11)18(20,21)22/h1-7,9,27H,8H2,(H,24,28)
InChIKeyDZJGGTKVRGQYJC-UHFFFAOYSA-N
XLogP2.58
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 168900475) is 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)ccc(-c3cn(-c4ccc(C(F)(F)F)cc4)cn3)c2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is DZJGGTKVRGQYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O4S/c19-16-12(5-6-14(27)17(16)26-8-15(28)24-31(26,29)30)13-7-25(9-23-13)11-3-1-10(2-4-11)18(20,21)22/h1-7,9,27H,8H2,(H,24,28).
What are the key properties of 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 456.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-3-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).