1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C11H10FN3O4S2 — CID 168714171

IUPAC1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1ccc2nc(N3CC(S(=O)(=O)F)CC3=O)sc2n1
InChIInChI=1S/C11H10FN3O4S2/c1-19-8-3-2-7-10(14-8)20-11(13-7)15-5-6(4-9(15)16)21(12,17)18/h2-3,6H,4-5H2,1H3
InChIKeyVDCSWQWQMOKRGY-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.10
Rot. Bonds3

About 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714171) has the molecular formula C11H10FN3O4S2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714171
Molecular FormulaC11H10FN3O4S2
Molecular Weight331.35 g/mol
Exact Mass331.01
IUPAC Name1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1ccc2nc(N3CC(S(=O)(=O)F)CC3=O)sc2n1
InChIInChI=1S/C11H10FN3O4S2/c1-19-8-3-2-7-10(14-8)20-11(13-7)15-5-6(4-9(15)16)21(12,17)18/h2-3,6H,4-5H2,1H3
InChIKeyVDCSWQWQMOKRGY-UHFFFAOYSA-N
XLogP1.10
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714171) is 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1ccc2nc(N3CC(S(=O)(=O)F)CC3=O)sc2n1.
What is the InChIKey of 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is VDCSWQWQMOKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S2/c1-19-8-3-2-7-10(14-8)20-11(13-7)15-5-6(4-9(15)16)21(12,17)18/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 331.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).