5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one

C31H33N5O3S — CID 59555245

IUPAC5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(c2ccccc2)N(CCc2ccccn2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C31H33N5O3S/c37-28(34-17-14-25(15-18-34)36-21-23-10-4-5-12-26(23)33-31(36)39)20-27-29(38)35(19-13-24-11-6-7-16-32-24)30(40-27)22-8-2-1-3-9-22/h1-12,16,25,27,30H,13-15,17-21H2,(H,33,39)
InChIKeyORUBJGQMGRVXLS-UHFFFAOYSA-N
MW555.70 g/mol
LogP4.70
Rot. Bonds7

About 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one

5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 59555245) has the molecular formula C31H33N5O3S and a molecular weight of 555.70 g/mol. Its IUPAC name is 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID59555245
Molecular FormulaC31H33N5O3S
Molecular Weight555.70 g/mol
Exact Mass555.23
IUPAC Name5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(c2ccccc2)N(CCc2ccccn2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C31H33N5O3S/c37-28(34-17-14-25(15-18-34)36-21-23-10-4-5-12-26(23)33-31(36)39)20-27-29(38)35(19-13-24-11-6-7-16-32-24)30(40-27)22-8-2-1-3-9-22/h1-12,16,25,27,30H,13-15,17-21H2,(H,33,39)
InChIKeyORUBJGQMGRVXLS-UHFFFAOYSA-N
XLogP4.70
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.70
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one (CID 59555245) is 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one is O=C(CC1SC(c2ccccc2)N(CCc2ccccn2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1.
What is the InChIKey of 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is ORUBJGQMGRVXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3S/c37-28(34-17-14-25(15-18-34)36-21-23-10-4-5-12-26(23)33-31(36)39)20-27-29(38)35(19-13-24-11-6-7-16-32-24)30(40-27)22-8-2-1-3-9-22/h1-12,16,25,27,30H,13-15,17-21H2,(H,33,39).
What are the key properties of 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one?
5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 555.70 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 59555245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).