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

C11H10N4O3S — CID 8014711

IUPAC1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C11H10N4O3S/c1-13-6-9(17)15(11(13)18)5-7-4-8(16)14-2-3-19-10(14)12-7/h2-4H,5-6H2,1H3
InChIKeyDMYCJQPCBOZURQ-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.15
Rot. Bonds2

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

1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (PubChem CID 8014711) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
PubChem CID8014711
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C11H10N4O3S/c1-13-6-9(17)15(11(13)18)5-7-4-8(16)14-2-3-19-10(14)12-7/h2-4H,5-6H2,1H3
InChIKeyDMYCJQPCBOZURQ-UHFFFAOYSA-N
XLogP0.15
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2540410
1-Cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
CID 2663285
1-Butyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
CID 2489484
1-(2-Methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
CID 2574449
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652311
1-Methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
CID 7756818
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 7807322
1-Ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
CID 7824019
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 8490327
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8626411
1-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 24578001
N,N-dimethyl-4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxamide
CID 45801142

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-dione?
The IUPAC name of 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (CID 8014711) is 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is CN1CC(=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-dione?
The InChIKey is DMYCJQPCBOZURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-13-6-9(17)15(11(13)18)5-7-4-8(16)14-2-3-19-10(14)12-7/h2-4H,5-6H2,1H3.
What are the key properties of 1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
1-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 278.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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-dione is sourced from PubChem (CID 8014711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).