4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

C10H11FN2O5S2 — CID 168713811

IUPAC4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N2CC(S(=O)(=O)F)CC2=O)sc1C(=O)O
InChIInChI=1S/C10H11FN2O5S2/c1-2-6-8(9(15)16)19-10(12-6)13-4-5(3-7(13)14)20(11,17)18/h5H,2-4H2,1H3,(H,15,16)
InChIKeyYFBNRNZFUMTRLC-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.81
Rot. Bonds4

About 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 168713811) has the molecular formula C10H11FN2O5S2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID168713811
Molecular FormulaC10H11FN2O5S2
Molecular Weight322.34 g/mol
Exact Mass322.01
IUPAC Name4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N2CC(S(=O)(=O)F)CC2=O)sc1C(=O)O
InChIInChI=1S/C10H11FN2O5S2/c1-2-6-8(9(15)16)19-10(12-6)13-4-5(3-7(13)14)20(11,17)18/h5H,2-4H2,1H3,(H,15,16)
InChIKeyYFBNRNZFUMTRLC-UHFFFAOYSA-N
XLogP0.81
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 168704976
methyl 2-[2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 168713908
5-oxo-1-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonyl fluoride
CID 168713672
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714383
1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714468
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxybenzoic acid
CID 168714155
1-(5-fluoro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716236
N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 168717800
1-(5-bromo-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716233
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 168716292
2-(2,4-dimethyl-1,4-diazepan-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 114087944
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764948

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 168713811) is 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is CCc1nc(N2CC(S(=O)(=O)F)CC2=O)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YFBNRNZFUMTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5S2/c1-2-6-8(9(15)16)19-10(12-6)13-4-5(3-7(13)14)20(11,17)18/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 168713811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).