5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C16H20N2O4S2 — CID 42939523

IUPAC5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)c2sc(=O)[nH]c2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-3-22-13-8-6-12(7-9-13)14-5-4-10-18(14)24(20,21)15-11(2)17-16(19)23-15/h6-9,14H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyFZCAQRANCPEKGU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.67
Rot. Bonds5

About 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 42939523) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
PubChem CID42939523
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)c2sc(=O)[nH]c2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-3-22-13-8-6-12(7-9-13)14-5-4-10-18(14)24(20,21)15-11(2)17-16(19)23-15/h6-9,14H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyFZCAQRANCPEKGU-UHFFFAOYSA-N
XLogP2.67
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
4-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 60724024
4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 51331124
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005
2-(4-ethoxyphenyl)-1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
CID 55544400
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
6-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46974999
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798
4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 62131249

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 42939523) is 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is CCOc1ccc(C2CCCN2S(=O)(=O)c2sc(=O)[nH]c2C)cc1.
What is the InChIKey of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is FZCAQRANCPEKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-3-22-13-8-6-12(7-9-13)14-5-4-10-18(14)24(20,21)15-11(2)17-16(19)23-15/h6-9,14H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 368.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 42939523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).