3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one

C19H27N3O2S — CID 23818738

IUPAC3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(N3CCCC3)cc2)N1CCN1CCOCC1
InChIInChI=1S/C19H27N3O2S/c23-18-15-25-19(22(18)10-9-20-11-13-24-14-12-20)16-3-5-17(6-4-16)21-7-1-2-8-21/h3-6,19H,1-2,7-15H2
InChIKeyJBTGTQYKQFTQGP-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.19
Rot. Bonds5

About 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one

3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one (PubChem CID 23818738) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
PubChem CID23818738
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(N3CCCC3)cc2)N1CCN1CCOCC1
InChIInChI=1S/C19H27N3O2S/c23-18-15-25-19(22(18)10-9-20-11-13-24-14-12-20)16-3-5-17(6-4-16)21-7-1-2-8-21/h3-6,19H,1-2,7-15H2
InChIKeyJBTGTQYKQFTQGP-UHFFFAOYSA-N
XLogP2.19
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3682436
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2871934
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 23988752
3-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049590
3-(pyridin-2-ylmethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 3862622
2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 12050572
(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
4-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazinan-2-yl]benzonitrile
CID 3301594
3-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 4679016
3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049589

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one (CID 23818738) is 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(N3CCCC3)cc2)N1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JBTGTQYKQFTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-18-15-25-19(22(18)10-9-20-11-13-24-14-12-20)16-3-5-17(6-4-16)21-7-1-2-8-21/h3-6,19H,1-2,7-15H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one?
3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 361.51 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23818738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).