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

C16H15N3O3S — CID 4046983

IUPACN-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C16H15N3O3S/c1-9-4-5-13(22-3)12(6-9)18-14(20)11-7-17-16-19(15(11)21)10(2)8-23-16/h4-8H,1-3H3,(H,18,20)
InChIKeyIVBZUCDOPVXTDK-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.63
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4046983) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4046983
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C16H15N3O3S/c1-9-4-5-13(22-3)12(6-9)18-14(20)11-7-17-16-19(15(11)21)10(2)8-23-16/h4-8H,1-3H3,(H,18,20)
InChIKeyIVBZUCDOPVXTDK-UHFFFAOYSA-N
XLogP2.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
N-(2-methoxy-5-methylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989903
N-cyclopropyl-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609829
N-(2,5-dimethoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197070
2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide
CID 4535213
N-(2-Methoxyphenyl)-1-methyl-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-YL)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide
CID 16032217
2-[6-hydroxy-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135419164
2-((5-ethyl-4-hydroxy-6-oxo-1-(o-tolyl)-1,6-dihydropyrimidin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 135437438
N-(4-ethoxyphenyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4327076
N-(2-Methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2342120
N-(3,5-dimethylphenyl)-2-((6-(4-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)acetamide
CID 135546909
2-[(4-hydroxypyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 860063

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4046983) is N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IVBZUCDOPVXTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-4-5-13(22-3)12(6-9)18-14(20)11-7-17-16-19(15(11)21)10(2)8-23-16/h4-8H,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4046983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).