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

C13H17N3O3S — CID 126469938

IUPAC3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCONC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C13H17N3O3S/c1-5-19-15-10(17)8-6-14-12-16(11(8)18)9(7-20-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyQPGQFZSHCJSJEX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.73
Rot. Bonds3

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

3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469938) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469938
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCONC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C13H17N3O3S/c1-5-19-15-10(17)8-6-14-12-16(11(8)18)9(7-20-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyQPGQFZSHCJSJEX-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.73
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 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469938) is 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCONC(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QPGQFZSHCJSJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-5-19-15-10(17)8-6-14-12-16(11(8)18)9(7-20-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,15,17).
What are the key properties of 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-ethoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).