N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide

C13H17N3O2S — CID 53019447

IUPACN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
SMILESCCc1csc2nc(C)c(NC(=O)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-5-9-6-19-13-14-8(4)10(12(18)16(9)13)15-11(17)7(2)3/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyIJEAIABARPIMLA-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.22
Rot. Bonds3

About N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide

N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide (PubChem CID 53019447) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
PubChem CID53019447
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide
SMILESCCc1csc2nc(C)c(NC(=O)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-5-9-6-19-13-14-8(4)10(12(18)16(9)13)15-11(17)7(2)3/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyIJEAIABARPIMLA-UHFFFAOYSA-N
XLogP2.22
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 53019448
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933517
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-methylphenyl)acetamide
CID 53019406
methyl 3-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-3-oxopropanoate
CID 53019399
4-tert-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933569
2-(3,4-dimethoxyphenyl)-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
CID 16933587
8-ethyl-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
CID 121224194
4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
CID 16933592
3-ethyl-N-methoxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469417
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
CID 91969119
ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate
CID 61498662
2-[6-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 93125589

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide?
The IUPAC name of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide (CID 53019447) is N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide is CCc1csc2nc(C)c(NC(=O)C(C)C)c(=O)n12.
What is the InChIKey of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide?
The InChIKey is IJEAIABARPIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-9-6-19-13-14-8(4)10(12(18)16(9)13)15-11(17)7(2)3/h6-7H,5H2,1-4H3,(H,15,17).
What are the key properties of N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide?
N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide has a molecular weight of 279.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-methylpropanamide is sourced from PubChem (CID 53019447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).