5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

C17H9F2N3O2S — CID 4757633

IUPAC5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(Nc2ccc(F)cc2)nc1O
InChIInChI=1S/C17H9F2N3O2S/c18-8-1-4-10(5-2-8)20-17-22-16(24)14(25-17)13-11-7-9(19)3-6-12(11)21-15(13)23/h1-7,24H,(H,20,22)
InChIKeyHFKLGAOIMUHSRL-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.23
Rot. Bonds3

About 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 4757633) has the molecular formula C17H9F2N3O2S and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID4757633
Molecular FormulaC17H9F2N3O2S
Molecular Weight357.34 g/mol
Exact Mass357.04
IUPAC Name5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(Nc2ccc(F)cc2)nc1O
InChIInChI=1S/C17H9F2N3O2S/c18-8-1-4-10(5-2-8)20-17-22-16(24)14(25-17)13-11-7-9(19)3-6-12(11)21-15(13)23/h1-7,24H,(H,20,22)
InChIKeyHFKLGAOIMUHSRL-UHFFFAOYSA-N
XLogP2.23
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (CID 4757633) is 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccc(F)cc2=C1c1sc(Nc2ccc(F)cc2)nc1O.
What is the InChIKey of 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is HFKLGAOIMUHSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O2S/c18-8-1-4-10(5-2-8)20-17-22-16(24)14(25-17)13-11-7-9(19)3-6-12(11)21-15(13)23/h1-7,24H,(H,20,22).
What are the key properties of 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 357.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-(4-fluoroanilino)-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 4757633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).