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

C12H12FN3O4S2 — CID 168675767

IUPAC[1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1ccc2nc(N3CC(CS(=O)(=O)F)CC3=O)sc2n1
InChIInChI=1S/C12H12FN3O4S2/c1-20-9-3-2-8-11(15-9)21-12(14-8)16-5-7(4-10(16)17)6-22(13,18)19/h2-3,7H,4-6H2,1H3
InChIKeyOIVFEKZLNRPYKG-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.35
Rot. Bonds4

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

[1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675767) has the molecular formula C12H12FN3O4S2 and a molecular weight of 345.38 g/mol. Its IUPAC name is [1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675767
Molecular FormulaC12H12FN3O4S2
Molecular Weight345.38 g/mol
Exact Mass345.03
IUPAC Name[1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1ccc2nc(N3CC(CS(=O)(=O)F)CC3=O)sc2n1
InChIInChI=1S/C12H12FN3O4S2/c1-20-9-3-2-8-11(15-9)21-12(14-8)16-5-7(4-10(16)17)6-22(13,18)19/h2-3,7H,4-6H2,1H3
InChIKeyOIVFEKZLNRPYKG-UHFFFAOYSA-N
XLogP1.35
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.35
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-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675767) is [1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1ccc2nc(N3CC(CS(=O)(=O)F)CC3=O)sc2n1.
What is the InChIKey of [1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is OIVFEKZLNRPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S2/c1-20-9-3-2-8-11(15-9)21-12(14-8)16-5-7(4-10(16)17)6-22(13,18)19/h2-3,7H,4-6H2,1H3.
What are the key properties of [1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 345.38 g/mol, XLogP of 1.35, 4 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-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).