5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C12H11FN4O4S2 — CID 171764125

IUPAC5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(CNc3nccs3)cc2F)S(=O)(=O)N1
InChIInChI=1S/C12H11FN4O4S2/c13-8-3-7(5-15-12-14-1-2-22-12)4-9(18)11(8)17-6-10(19)16-23(17,20)21/h1-4,18H,5-6H2,(H,14,15)(H,16,19)
InChIKeyASMCNGOMAJKELN-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.78
Rot. Bonds4

About 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 171764125) has the molecular formula C12H11FN4O4S2 and a molecular weight of 358.38 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID171764125
Molecular FormulaC12H11FN4O4S2
Molecular Weight358.38 g/mol
Exact Mass358.02
IUPAC Name5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(CNc3nccs3)cc2F)S(=O)(=O)N1
InChIInChI=1S/C12H11FN4O4S2/c13-8-3-7(5-15-12-14-1-2-22-12)4-9(18)11(8)17-6-10(19)16-23(17,20)21/h1-4,18H,5-6H2,(H,14,15)(H,16,19)
InChIKeyASMCNGOMAJKELN-UHFFFAOYSA-N
XLogP0.78
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]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-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 171764125) is 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc(CNc3nccs3)cc2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is ASMCNGOMAJKELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O4S2/c13-8-3-7(5-15-12-14-1-2-22-12)4-9(18)11(8)17-6-10(19)16-23(17,20)21/h1-4,18H,5-6H2,(H,14,15)(H,16,19).
What are the key properties of 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 358.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-4-[(1,3-thiazol-2-ylamino)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 171764125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).