2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C12H7ClFN3O2S — CID 56951923

IUPAC2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=c1cc(O)c2sc(Nc3ccc(F)cc3Cl)nc2[nH]1
InChIInChI=1S/C12H7ClFN3O2S/c13-6-3-5(14)1-2-7(6)15-12-17-11-10(20-12)8(18)4-9(19)16-11/h1-4H,(H3,15,16,17,18,19)
InChIKeyADOYRWOUXWMOEL-UHFFFAOYSA-N
MW311.73 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 56951923) has the molecular formula C12H7ClFN3O2S and a molecular weight of 311.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID56951923
Molecular FormulaC12H7ClFN3O2S
Molecular Weight311.73 g/mol
Exact Mass310.99
IUPAC Name2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=c1cc(O)c2sc(Nc3ccc(F)cc3Cl)nc2[nH]1
InChIInChI=1S/C12H7ClFN3O2S/c13-6-3-5(14)1-2-7(6)15-12-17-11-10(20-12)8(18)4-9(19)16-11/h1-4H,(H3,15,16,17,18,19)
InChIKeyADOYRWOUXWMOEL-UHFFFAOYSA-N
XLogP3.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 56951923) is 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is O=c1cc(O)c2sc(Nc3ccc(F)cc3Cl)nc2[nH]1.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is ADOYRWOUXWMOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O2S/c13-6-3-5(14)1-2-7(6)15-12-17-11-10(20-12)8(18)4-9(19)16-11/h1-4H,(H3,15,16,17,18,19).
What are the key properties of 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 311.73 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoroanilino)-7-hydroxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 56951923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).