N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C9H9N3O3S — CID 60700491

IUPACN-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCONC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C9H9N3O3S/c1-2-15-11-7(13)6-5-10-9-12(8(6)14)3-4-16-9/h3-5H,2H2,1H3,(H,11,13)
InChIKeyIAGUOQRATZNDJR-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.44
Rot. Bonds3

About N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 60700491) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID60700491
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC NameN-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCONC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C9H9N3O3S/c1-2-15-11-7(13)6-5-10-9-12(8(6)14)3-4-16-9/h3-5H,2H2,1H3,(H,11,13)
InChIKeyIAGUOQRATZNDJR-UHFFFAOYSA-N
XLogP0.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 60700491) is N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCONC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IAGUOQRATZNDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-2-15-11-7(13)6-5-10-9-12(8(6)14)3-4-16-9/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 60700491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).