methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

C10H11FN2O5S2 — CID 168713908

IUPACmethyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H11FN2O5S2/c1-18-9(15)2-6-5-19-10(12-6)13-4-7(3-8(13)14)20(11,16)17/h5,7H,2-4H2,1H3
InChIKeyTYHWFSBQQVZIES-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.26
Rot. Bonds4

About methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 168713908) has the molecular formula C10H11FN2O5S2 and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID168713908
Molecular FormulaC10H11FN2O5S2
Molecular Weight322.34 g/mol
Exact Mass322.01
IUPAC Namemethyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H11FN2O5S2/c1-18-9(15)2-6-5-19-10(12-6)13-4-7(3-8(13)14)20(11,16)17/h5,7H,2-4H2,1H3
InChIKeyTYHWFSBQQVZIES-UHFFFAOYSA-N
XLogP0.26
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662270
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662123
methyl 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80576427
methyl 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 90150801
4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 168713811
methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574515
methyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1H-1,2,4-triazole-5-carboxylate
CID 168714000
methyl 2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-4-yl]acetate
CID 80576582
3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 168704039
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
methyl 2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazol-4-yl]acetate
CID 80576981
methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 168713908) is methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N2CC(S(=O)(=O)F)CC2=O)n1.
What is the InChIKey of methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is TYHWFSBQQVZIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5S2/c1-18-9(15)2-6-5-19-10(12-6)13-4-7(3-8(13)14)20(11,16)17/h5,7H,2-4H2,1H3.
What are the key properties of methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 322.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168713908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).