6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one

C15H9BrF4N2O3S — CID 163253623

IUPAC6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=c1c(Br)cc2sc(OCC(F)F)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H9BrF4N2O3S/c16-9-5-10-12(21-15(26-10)24-6-11(17)18)22(13(9)23)7-1-3-8(4-2-7)25-14(19)20/h1-5,11,14H,6H2
InChIKeyHVSMNQVQXJJKHZ-UHFFFAOYSA-N
MW453.21 g/mol
LogP4.45
Rot. Bonds6

About 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one

6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 163253623) has the molecular formula C15H9BrF4N2O3S and a molecular weight of 453.21 g/mol. Its IUPAC name is 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID163253623
Molecular FormulaC15H9BrF4N2O3S
Molecular Weight453.21 g/mol
Exact Mass451.95
IUPAC Name6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=c1c(Br)cc2sc(OCC(F)F)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H9BrF4N2O3S/c16-9-5-10-12(21-15(26-10)24-6-11(17)18)22(13(9)23)7-1-3-8(4-2-7)25-14(19)20/h1-5,11,14H,6H2
InChIKeyHVSMNQVQXJJKHZ-UHFFFAOYSA-N
XLogP4.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.21
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 163253623) is 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one is O=c1c(Br)cc2sc(OCC(F)F)nc2n1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is HVSMNQVQXJJKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF4N2O3S/c16-9-5-10-12(21-15(26-10)24-6-11(17)18)22(13(9)23)7-1-3-8(4-2-7)25-14(19)20/h1-5,11,14H,6H2.
What are the key properties of 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 453.21 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 163253623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).