[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H15FN2O3S2 — CID 168676080

IUPAC[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1ncsc1CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H15FN2O3S2/c1-8-10(18-7-13-8)2-3-14-5-9(4-11(14)15)6-19(12,16)17/h7,9H,2-6H2,1H3
InChIKeyPAMZRHLQAZYSBP-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.14
Rot. Bonds5

About [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676080) has the molecular formula C11H15FN2O3S2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676080
Molecular FormulaC11H15FN2O3S2
Molecular Weight306.38 g/mol
Exact Mass306.05
IUPAC Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1ncsc1CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H15FN2O3S2/c1-8-10(18-7-13-8)2-3-14-5-9(4-11(14)15)6-19(12,16)17/h7,9H,2-6H2,1H3
InChIKeyPAMZRHLQAZYSBP-UHFFFAOYSA-N
XLogP1.14
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676080) is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1ncsc1CCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is PAMZRHLQAZYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S2/c1-8-10(18-7-13-8)2-3-14-5-9(4-11(14)15)6-19(12,16)17/h7,9H,2-6H2,1H3.
What are the key properties of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 306.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).