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

C13H6Br2F2N2O2S — CID 163253622

IUPAC2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=c1c(Br)cc2sc(Br)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H6Br2F2N2O2S/c14-8-5-9-10(18-12(15)22-9)19(11(8)20)6-1-3-7(4-2-6)21-13(16)17/h1-5,13H
InChIKeySWUXGIBCVVRULQ-UHFFFAOYSA-N
MW452.07 g/mol
LogP4.57
Rot. Bonds3

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

2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 163253622) has the molecular formula C13H6Br2F2N2O2S and a molecular weight of 452.07 g/mol. Its IUPAC name is 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID163253622
Molecular FormulaC13H6Br2F2N2O2S
Molecular Weight452.07 g/mol
Exact Mass449.85
IUPAC Name2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESO=c1c(Br)cc2sc(Br)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H6Br2F2N2O2S/c14-8-5-9-10(18-12(15)22-9)19(11(8)20)6-1-3-7(4-2-6)21-13(16)17/h1-5,13H
InChIKeySWUXGIBCVVRULQ-UHFFFAOYSA-N
XLogP4.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.07
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 163253622) is 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one is O=c1c(Br)cc2sc(Br)nc2n1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is SWUXGIBCVVRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2F2N2O2S/c14-8-5-9-10(18-12(15)22-9)19(11(8)20)6-1-3-7(4-2-6)21-13(16)17/h1-5,13H.
What are the key properties of 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one?
2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 452.07 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 163253622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).