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

C10H11N3O3S — CID 126469598

IUPACN-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCONC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C10H11N3O3S/c1-3-16-12-8(14)7-4-11-10-13(9(7)15)6(2)5-17-10/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyHUCWUXYSYKLNRK-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.75
Rot. Bonds3

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

N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469598) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469598
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCONC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C10H11N3O3S/c1-3-16-12-8(14)7-4-11-10-13(9(7)15)6(2)5-17-10/h4-5H,3H2,1-2H3,(H,12,14)
InChIKeyHUCWUXYSYKLNRK-UHFFFAOYSA-N
XLogP0.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.75
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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Related Compounds

3-methyl-N-(2-methylprop-2-enoxy)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471182
ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 4134616
N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248333
methyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 75412267
N-[(2S)-1-methoxypropan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564193
2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 120533378
N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
N-ethoxy-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469740
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120526975
3-ethyl-N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469417
3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5006851
N-(4-carbamoylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3586698

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469598) is N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCONC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HUCWUXYSYKLNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-3-16-12-8(14)7-4-11-10-13(9(7)15)6(2)5-17-10/h4-5H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).