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

C18H15FN4O5S — CID 168900389

IUPAC5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc(-n2cnc(-c3ccc(O)c(N4CC(=O)NS4(=O)=O)c3F)c2)cc1
InChIInChI=1S/C18H15FN4O5S/c1-28-12-4-2-11(3-5-12)22-8-14(20-10-22)13-6-7-15(24)18(17(13)19)23-9-16(25)21-29(23,26)27/h2-8,10,24H,9H2,1H3,(H,21,25)
InChIKeyDPAYFBAWCWITCZ-UHFFFAOYSA-N
MW418.41 g/mol
LogP1.57
Rot. Bonds4

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

5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900389) has the molecular formula C18H15FN4O5S and a molecular weight of 418.41 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900389
Molecular FormulaC18H15FN4O5S
Molecular Weight418.41 g/mol
Exact Mass418.07
IUPAC Name5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc(-n2cnc(-c3ccc(O)c(N4CC(=O)NS4(=O)=O)c3F)c2)cc1
InChIInChI=1S/C18H15FN4O5S/c1-28-12-4-2-11(3-5-12)22-8-14(20-10-22)13-6-7-15(24)18(17(13)19)23-9-16(25)21-29(23,26)27/h2-8,10,24H,9H2,1H3,(H,21,25)
InChIKeyDPAYFBAWCWITCZ-UHFFFAOYSA-N
XLogP1.57
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 168900389) is 5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is COc1ccc(-n2cnc(-c3ccc(O)c(N4CC(=O)NS4(=O)=O)c3F)c2)cc1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is DPAYFBAWCWITCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O5S/c1-28-12-4-2-11(3-5-12)22-8-14(20-10-22)13-6-7-15(24)18(17(13)19)23-9-16(25)21-29(23,26)27/h2-8,10,24H,9H2,1H3,(H,21,25).
What are the key properties of 5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 418.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-3-[1-(4-methoxyphenyl)imidazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).