3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

C13H20N4O3S — CID 56797721

IUPAC3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H20N4O3S/c18-11(7-16-9-21-8-12(16)19)15-4-1-10(2-5-15)17-6-3-14-13(17)20/h10H,1-9H2,(H,14,20)
InChIKeyXEJPKGDNVVAULZ-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.46
Rot. Bonds3

About 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 56797721) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
PubChem CID56797721
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H20N4O3S/c18-11(7-16-9-21-8-12(16)19)15-4-1-10(2-5-15)17-6-3-14-13(17)20/h10H,1-9H2,(H,14,20)
InChIKeyXEJPKGDNVVAULZ-UHFFFAOYSA-N
XLogP-0.46
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 128848247
1-[1-[2-(methylamino)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 54872430
1-[1-(4-aminobutanoyl)piperidin-4-yl]imidazolidin-2-one
CID 54872429
3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 55219396
3-[1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63870414
3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 63764134
1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 114328233
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120818727
1-[2-(azetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 175896433
2-[acetyl-[(4S)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129332794
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 33114517

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one (CID 56797721) is 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is O=C(CN1CSCC1=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is XEJPKGDNVVAULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c18-11(7-16-9-21-8-12(16)19)15-4-1-10(2-5-15)17-6-3-14-13(17)20/h10H,1-9H2,(H,14,20).
What are the key properties of 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one?
3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 312.40 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 56797721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).