2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one

C18H25N3O2S — CID 3872239

IUPAC2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2CCCN2CCCC2=O)cc1
InChIInChI=1S/C18H25N3O2S/c1-19(2)15-8-6-14(7-9-15)18-21(17(23)13-24-18)12-4-11-20-10-3-5-16(20)22/h6-9,18H,3-5,10-13H2,1-2H3
InChIKeyZHPCKROAGFRLAT-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one

2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 3872239) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
PubChem CID3872239
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2CCCN2CCCC2=O)cc1
InChIInChI=1S/C18H25N3O2S/c1-19(2)15-8-6-14(7-9-15)18-21(17(23)13-24-18)12-4-11-20-10-3-5-16(20)22/h6-9,18H,3-5,10-13H2,1-2H3
InChIKeyZHPCKROAGFRLAT-UHFFFAOYSA-N
XLogP2.34
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one
CID 3487681
2-[4-(dimethylamino)phenyl]-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3667879
3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23822864
3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23740893
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936526
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one (CID 3872239) is 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one is CN(C)c1ccc(C2SCC(=O)N2CCCN2CCCC2=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
The InChIKey is ZHPCKROAGFRLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-19(2)15-8-6-14(7-9-15)18-21(17(23)13-24-18)12-4-11-20-10-3-5-16(20)22/h6-9,18H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one?
2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 347.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3872239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).