1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione

C11H8N4O4S — CID 7756818

IUPAC1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C11H8N4O4S/c1-13-8(17)9(18)15(11(13)19)5-6-4-7(16)14-2-3-20-10(14)12-6/h2-4H,5H2,1H3
InChIKeyGCVNEDCPDBEDCM-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.32
Rot. Bonds2

About 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione

1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 7756818) has the molecular formula C11H8N4O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID7756818
Molecular FormulaC11H8N4O4S
Molecular Weight292.28 g/mol
Exact Mass292.03
IUPAC Name1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C11H8N4O4S/c1-13-8(17)9(18)15(11(13)19)5-6-4-7(16)14-2-3-20-10(14)12-6/h2-4H,5H2,1H3
InChIKeyGCVNEDCPDBEDCM-UHFFFAOYSA-N
XLogP-0.32
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione (CID 7756818) is 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O.
What is the InChIKey of 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is GCVNEDCPDBEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4S/c1-13-8(17)9(18)15(11(13)19)5-6-4-7(16)14-2-3-20-10(14)12-6/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 292.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7756818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).