4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one

C15H18N2O4S — CID 20996614

IUPAC4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C15H18N2O4S/c1-11-10-22(20,21)17(14(11)18)13-6-4-12(5-7-13)15(19)16-8-2-3-9-16/h4-7,11H,2-3,8-10H2,1H3
InChIKeyJGZVEZUAUVVARY-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.24
Rot. Bonds2

About 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one

4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one (PubChem CID 20996614) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
PubChem CID20996614
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C15H18N2O4S/c1-11-10-22(20,21)17(14(11)18)13-6-4-12(5-7-13)15(19)16-8-2-3-9-16/h4-7,11H,2-3,8-10H2,1H3
InChIKeyJGZVEZUAUVVARY-UHFFFAOYSA-N
XLogP1.24
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
CID 26824225
ethyl 4-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperazine-1-carboxylate
CID 26824250
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 110301572
1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 46306967
N-butyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006908
N-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
CID 20996678
N-(4-fluorophenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824350
N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391
4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one
CID 82092283
3-[[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]benzoic acid
CID 28811757
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996629
ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate
CID 42349867

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one?
The IUPAC name of 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one (CID 20996614) is 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one.
What is the SMILES notation for 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one?
The canonical SMILES for 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one is CC1CS(=O)(=O)N(c2ccc(C(=O)N3CCCC3)cc2)C1=O.
What is the InChIKey of 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one?
The InChIKey is JGZVEZUAUVVARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-10-22(20,21)17(14(11)18)13-6-4-12(5-7-13)15(19)16-8-2-3-9-16/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one?
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one has a molecular weight of 322.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one is sourced from PubChem (CID 20996614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).