[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H13FN2O3S2 — CID 168677796

IUPAC[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1nc2c(s1)CCC2
InChIInChI=1S/C11H13FN2O3S2/c12-19(16,17)6-7-4-10(15)14(5-7)11-13-8-2-1-3-9(8)18-11/h7H,1-6H2
InChIKeyZYFIXCXTTCPHFE-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.28
Rot. Bonds3

About [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677796) has the molecular formula C11H13FN2O3S2 and a molecular weight of 304.37 g/mol. Its IUPAC name is [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677796
Molecular FormulaC11H13FN2O3S2
Molecular Weight304.37 g/mol
Exact Mass304.04
IUPAC Name[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1nc2c(s1)CCC2
InChIInChI=1S/C11H13FN2O3S2/c12-19(16,17)6-7-4-10(15)14(5-7)11-13-8-2-1-3-9(8)18-11/h7H,1-6H2
InChIKeyZYFIXCXTTCPHFE-UHFFFAOYSA-N
XLogP1.28
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677796) is [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1nc2c(s1)CCC2.
What is the InChIKey of [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is ZYFIXCXTTCPHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S2/c12-19(16,17)6-7-4-10(15)14(5-7)11-13-8-2-1-3-9(8)18-11/h7H,1-6H2.
What are the key properties of [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 304.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).