[1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H11FN2O3S2 — CID 168676220

IUPAC[1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1cnc(N2CC(CS(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C9H11FN2O3S2/c1-6-3-11-9(16-6)12-4-7(2-8(12)13)5-17(10,14)15/h3,7H,2,4-5H2,1H3
InChIKeyBERFJADAKPFQNO-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.10
Rot. Bonds3

About [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676220) has the molecular formula C9H11FN2O3S2 and a molecular weight of 278.33 g/mol. Its IUPAC name is [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676220
Molecular FormulaC9H11FN2O3S2
Molecular Weight278.33 g/mol
Exact Mass278.02
IUPAC Name[1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1cnc(N2CC(CS(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C9H11FN2O3S2/c1-6-3-11-9(16-6)12-4-7(2-8(12)13)5-17(10,14)15/h3,7H,2,4-5H2,1H3
InChIKeyBERFJADAKPFQNO-UHFFFAOYSA-N
XLogP1.10
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676220) is [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1cnc(N2CC(CS(=O)(=O)F)CC2=O)s1.
What is the InChIKey of [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is BERFJADAKPFQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S2/c1-6-3-11-9(16-6)12-4-7(2-8(12)13)5-17(10,14)15/h3,7H,2,4-5H2,1H3.
What are the key properties of [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 278.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).