1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H6FN3O3S2 — CID 168716257

IUPAC1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESN#Cc1cnc(N2CC(S(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C8H6FN3O3S2/c9-17(14,15)6-1-7(13)12(4-6)8-11-3-5(2-10)16-8/h3,6H,1,4H2
InChIKeyROGSGYXRLNEZIL-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.42
Rot. Bonds2

About 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168716257) has the molecular formula C8H6FN3O3S2 and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168716257
Molecular FormulaC8H6FN3O3S2
Molecular Weight275.29 g/mol
Exact Mass274.98
IUPAC Name1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESN#Cc1cnc(N2CC(S(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C8H6FN3O3S2/c9-17(14,15)6-1-7(13)12(4-6)8-11-3-5(2-10)16-8/h3,6H,1,4H2
InChIKeyROGSGYXRLNEZIL-UHFFFAOYSA-N
XLogP0.42
TPSA91.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168716257) is 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is N#Cc1cnc(N2CC(S(=O)(=O)F)CC2=O)s1.
What is the InChIKey of 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is ROGSGYXRLNEZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O3S2/c9-17(14,15)6-1-7(13)12(4-6)8-11-3-5(2-10)16-8/h3,6H,1,4H2.
What are the key properties of 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).