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

C15H11BrF2N2O3S — CID 163253611

IUPAC6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCOc1nc2c(cc(Br)c(=O)n2-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C15H11BrF2N2O3S/c1-2-22-15-19-12-11(24-15)7-10(16)13(21)20(12)8-3-5-9(6-4-8)23-14(17)18/h3-7,14H,2H2,1H3
InChIKeyWJYVYBIBIWLYRZ-UHFFFAOYSA-N
MW417.23 g/mol
LogP4.21
Rot. Bonds5

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

6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 163253611) has the molecular formula C15H11BrF2N2O3S and a molecular weight of 417.23 g/mol. Its IUPAC name is 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID163253611
Molecular FormulaC15H11BrF2N2O3S
Molecular Weight417.23 g/mol
Exact Mass415.96
IUPAC Name6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCOc1nc2c(cc(Br)c(=O)n2-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C15H11BrF2N2O3S/c1-2-22-15-19-12-11(24-15)7-10(16)13(21)20(12)8-3-5-9(6-4-8)23-14(17)18/h3-7,14H,2H2,1H3
InChIKeyWJYVYBIBIWLYRZ-UHFFFAOYSA-N
XLogP4.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 163253611) is 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one is CCOc1nc2c(cc(Br)c(=O)n2-c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is WJYVYBIBIWLYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O3S/c1-2-22-15-19-12-11(24-15)7-10(16)13(21)20(12)8-3-5-9(6-4-8)23-14(17)18/h3-7,14H,2H2,1H3.
What are the key properties of 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 417.23 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 163253611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).