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

C15H15FN2O3S2 — CID 168676065

IUPAC[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1sc(N2CC(CS(=O)(=O)F)CC2=O)nc1-c1ccccc1
InChIInChI=1S/C15H15FN2O3S2/c1-10-14(12-5-3-2-4-6-12)17-15(22-10)18-8-11(7-13(18)19)9-23(16,20)21/h2-6,11H,7-9H2,1H3
InChIKeyCINHZZUJCAZHIX-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.77
Rot. Bonds4

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

[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676065) has the molecular formula C15H15FN2O3S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676065
Molecular FormulaC15H15FN2O3S2
Molecular Weight354.43 g/mol
Exact Mass354.05
IUPAC Name[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1sc(N2CC(CS(=O)(=O)F)CC2=O)nc1-c1ccccc1
InChIInChI=1S/C15H15FN2O3S2/c1-10-14(12-5-3-2-4-6-12)17-15(22-10)18-8-11(7-13(18)19)9-23(16,20)21/h2-6,11H,7-9H2,1H3
InChIKeyCINHZZUJCAZHIX-UHFFFAOYSA-N
XLogP2.77
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-oxo-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677915
[1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677843
1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714468
[1-(6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676206
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288
[1-(6-chloro-1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677837
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109
[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676295
[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683266
1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 4792115
[5-oxo-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677787
[1-(6-methoxy-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676052

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676065) is [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1sc(N2CC(CS(=O)(=O)F)CC2=O)nc1-c1ccccc1.
What is the InChIKey of [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is CINHZZUJCAZHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S2/c1-10-14(12-5-3-2-4-6-12)17-15(22-10)18-8-11(7-13(18)19)9-23(16,20)21/h2-6,11H,7-9H2,1H3.
What are the key properties of [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 354.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).