5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride

C7H7FN2O3S2 — CID 168716298

IUPAC5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nccs1
InChIInChI=1S/C7H7FN2O3S2/c8-15(12,13)5-3-6(11)10(4-5)7-9-1-2-14-7/h1-2,5H,3-4H2
InChIKeyAYILVOYCDHTCFE-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.55
Rot. Bonds2

About 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168716298) has the molecular formula C7H7FN2O3S2 and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168716298
Molecular FormulaC7H7FN2O3S2
Molecular Weight250.28 g/mol
Exact Mass249.99
IUPAC Name5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nccs1
InChIInChI=1S/C7H7FN2O3S2/c8-15(12,13)5-3-6(11)10(4-5)7-9-1-2-14-7/h1-2,5H,3-4H2
InChIKeyAYILVOYCDHTCFE-UHFFFAOYSA-N
XLogP0.55
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Thiazol-2-yl)pyrrolidin-2-one
CID 574609
1-(1,3-Thiazol-2-yl)pyrrolidine-2,5-dione
CID 934529
Thiazolyl-thiazolidine-2,4-dione
CID 129820905
3-Fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 175506869
[1-(5-Methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676220
[1-(5-Chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677392
[2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-5-yl] thiocyanate
CID 168677861
[5-Oxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677894
1-(5-Methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714624
1-(5-Chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715796
1-(5-Cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716257
[2-(4-Fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-5-yl] thiocyanate
CID 168716265

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride (CID 168716298) is 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1nccs1.
What is the InChIKey of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is AYILVOYCDHTCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3S2/c8-15(12,13)5-3-6(11)10(4-5)7-9-1-2-14-7/h1-2,5H,3-4H2.
What are the key properties of 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 250.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).