5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione

C21H22N4O3S — CID 24577741

IUPAC5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2cc(=O)n3c(C)csc3n2)C1=O
InChIInChI=1S/C21H22N4O3S/c1-3-4-10-21(15-8-6-5-7-9-15)18(27)24(19(28)23-21)12-16-11-17(26)25-14(2)13-29-20(25)22-16/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,23,28)
InChIKeyVGLYSZQNMICKKD-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.20
Rot. Bonds6

About 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione

5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 24577741) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID24577741
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2cc(=O)n3c(C)csc3n2)C1=O
InChIInChI=1S/C21H22N4O3S/c1-3-4-10-21(15-8-6-5-7-9-15)18(27)24(19(28)23-21)12-16-11-17(26)25-14(2)13-29-20(25)22-16/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,23,28)
InChIKeyVGLYSZQNMICKKD-UHFFFAOYSA-N
XLogP3.20
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
N-[4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617051
5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860
3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51120862
7-[[benzyl(propyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357792
5-butyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 55327606
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 55733734
1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 51074744
3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 70690995
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 55326957
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55327621

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 24577741) is 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione is CCCCC1(c2ccccc2)NC(=O)N(Cc2cc(=O)n3c(C)csc3n2)C1=O.
What is the InChIKey of 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is VGLYSZQNMICKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-3-4-10-21(15-8-6-5-7-9-15)18(27)24(19(28)23-21)12-16-11-17(26)25-14(2)13-29-20(25)22-16/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,23,28).
What are the key properties of 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione?
5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 410.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 24577741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).