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

C12H12N4O3S — CID 2540410

IUPAC5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C12H12N4O3S/c1-12(2)9(18)16(10(19)14-12)6-7-5-8(17)15-3-4-20-11(15)13-7/h3-5H,6H2,1-2H3,(H,14,19)
InChIKeyGMJISTQCHMGCKR-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.59
Rot. Bonds2

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

5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (PubChem CID 2540410) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
PubChem CID2540410
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C12H12N4O3S/c1-12(2)9(18)16(10(19)14-12)6-7-5-8(17)15-3-4-20-11(15)13-7/h3-5H,6H2,1-2H3,(H,14,19)
InChIKeyGMJISTQCHMGCKR-UHFFFAOYSA-N
XLogP0.59
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (CID 2540410) is 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is GMJISTQCHMGCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-12(2)9(18)16(10(19)14-12)6-7-5-8(17)15-3-4-20-11(15)13-7/h3-5H,6H2,1-2H3,(H,14,19).
What are the key properties of 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 292.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2540410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).