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

C12H10N4O4S — CID 7824019

IUPAC1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C12H10N4O4S/c1-2-14-9(18)10(19)16(12(14)20)6-7-5-8(17)15-3-4-21-11(15)13-7/h3-5H,2,6H2,1H3
InChIKeyCVWHPQQRQSXYTO-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.07
Rot. Bonds3

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

1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 7824019) has the molecular formula C12H10N4O4S and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID7824019
Molecular FormulaC12H10N4O4S
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC Name1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C12H10N4O4S/c1-2-14-9(18)10(19)16(12(14)20)6-7-5-8(17)15-3-4-21-11(15)13-7/h3-5H,2,6H2,1H3
InChIKeyCVWHPQQRQSXYTO-UHFFFAOYSA-N
XLogP0.07
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.07
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione (CID 7824019) is 1-ethyl-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-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O.
What is the InChIKey of 1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is CVWHPQQRQSXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4S/c1-2-14-9(18)10(19)16(12(14)20)6-7-5-8(17)15-3-4-21-11(15)13-7/h3-5H,2,6H2,1H3.
What are the key properties of 1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 306.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7824019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).