5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one

C15H12FN3O4S — CID 168900792

IUPAC5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2c(O)ccc(-c3cn(C4CC4)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C15H12FN3O4S/c16-15-9(10-6-19(7-17-10)8-1-2-8)3-4-11(20)14(15)12-5-13(21)18-24(12,22)23/h3-8,20H,1-2H2,(H,18,21)
InChIKeyGYDKWLDSCQQGOU-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.53
Rot. Bonds3

About 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one

5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one (PubChem CID 168900792) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one
PubChem CID168900792
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2c(O)ccc(-c3cn(C4CC4)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C15H12FN3O4S/c16-15-9(10-6-19(7-17-10)8-1-2-8)3-4-11(20)14(15)12-5-13(21)18-24(12,22)23/h3-8,20H,1-2H2,(H,18,21)
InChIKeyGYDKWLDSCQQGOU-UHFFFAOYSA-N
XLogP1.53
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one?
The IUPAC name of 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one (CID 168900792) is 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one is O=C1C=C(c2c(O)ccc(-c3cn(C4CC4)cn3)c2F)S(=O)(=O)N1.
What is the InChIKey of 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one?
The InChIKey is GYDKWLDSCQQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c16-15-9(10-6-19(7-17-10)8-1-2-8)3-4-11(20)14(15)12-5-13(21)18-24(12,22)23/h3-8,20H,1-2H2,(H,18,21).
What are the key properties of 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one?
5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one has a molecular weight of 349.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-cyclopropylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2-thiazol-3-one is sourced from PubChem (CID 168900792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).