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

C12H11FN2O4S2 — CID 168677780

IUPAC[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1nc(-c2ccco2)cs1
InChIInChI=1S/C12H11FN2O4S2/c13-21(17,18)7-8-4-11(16)15(5-8)12-14-9(6-20-12)10-2-1-3-19-10/h1-3,6,8H,4-5,7H2
InChIKeyNHPSCMDUABLRHT-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.06
Rot. Bonds4

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

[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677780) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677780
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1nc(-c2ccco2)cs1
InChIInChI=1S/C12H11FN2O4S2/c13-21(17,18)7-8-4-11(16)15(5-8)12-14-9(6-20-12)10-2-1-3-19-10/h1-3,6,8H,4-5,7H2
InChIKeyNHPSCMDUABLRHT-UHFFFAOYSA-N
XLogP2.06
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664210
[5-oxo-1-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677787
[1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677843
[1-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683259
[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683272
4-(chloromethyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168509574
[5-oxo-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677915
[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676065
[1-(6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676206
4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168672273
4-(aminomethyl)-1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168661338
4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168509594

Frequently Asked Questions

What is the IUPAC name of [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677780) is [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1nc(-c2ccco2)cs1.
What is the InChIKey of [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is NHPSCMDUABLRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c13-21(17,18)7-8-4-11(16)15(5-8)12-14-9(6-20-12)10-2-1-3-19-10/h1-3,6,8H,4-5,7H2.
What are the key properties of [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 330.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).