N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H13N3O4S — CID 126469254

IUPACN-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O
InChIInChI=1S/C15H13N3O4S/c1-21-10-5-3-4-9(6-10)12-8-23-15-16-7-11(13(19)17-22-2)14(20)18(12)15/h3-8H,1-2H3,(H,17,19)
InChIKeyWTKPHLFYXNMYDE-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.72
Rot. Bonds4

About N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469254) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469254
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCONC(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O
InChIInChI=1S/C15H13N3O4S/c1-21-10-5-3-4-9(6-10)12-8-23-15-16-7-11(13(19)17-22-2)14(20)18(12)15/h3-8H,1-2H3,(H,17,19)
InChIKeyWTKPHLFYXNMYDE-UHFFFAOYSA-N
XLogP1.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470688
N-(3-methoxyphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3341720
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248659
3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470182
3-ethyl-N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469417
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
methyl 4,5-dimethoxy-2-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 17248499
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469776
5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564211
N-(2-ethylphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5076109
N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248616

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469254) is N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CONC(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O.
What is the InChIKey of N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WTKPHLFYXNMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-21-10-5-3-4-9(6-10)12-8-23-15-16-7-11(13(19)17-22-2)14(20)18(12)15/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).