1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one

C14H16N2O2S — CID 29184328

IUPAC1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCSC1
InChIInChI=1S/C14H16N2O2S/c17-13-2-1-7-16(13)12-5-3-11(4-6-12)14(18)15-8-9-19-10-15/h3-6H,1-2,7-10H2
InChIKeyPGHXEWCSSHETSB-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.96
Rot. Bonds2

About 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 29184328) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID29184328
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCSC1
InChIInChI=1S/C14H16N2O2S/c17-13-2-1-7-16(13)12-5-3-11(4-6-12)14(18)15-8-9-19-10-15/h3-6H,1-2,7-10H2
InChIKeyPGHXEWCSSHETSB-UHFFFAOYSA-N
XLogP1.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7446641
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
(1R,5S)-3-[4-(2-oxopyrrolidin-1-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135109292
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]pyrrolidin-2-one
CID 9296296
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 27744247
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one (CID 29184328) is 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)N1CCSC1.
What is the InChIKey of 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is PGHXEWCSSHETSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13-2-1-7-16(13)12-5-3-11(4-6-12)14(18)15-8-9-19-10-15/h3-6H,1-2,7-10H2.
What are the key properties of 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 276.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 29184328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).