ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate

C12H13N3O4S — CID 4549139

IUPACethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H13N3O4S/c1-3-19-9(16)5-13-10(17)8-4-14-12-15(11(8)18)7(2)6-20-12/h4,6H,3,5H2,1-2H3,(H,13,17)
InChIKeyMXQILAZJITXQGB-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.36
Rot. Bonds4

About ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate

ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 4549139) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
PubChem CID4549139
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Nameethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H13N3O4S/c1-3-19-9(16)5-13-10(17)8-4-14-12-15(11(8)18)7(2)6-20-12/h4,6H,3,5H2,1-2H3,(H,13,17)
InChIKeyMXQILAZJITXQGB-UHFFFAOYSA-N
XLogP0.36
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (CID 4549139) is ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is MXQILAZJITXQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-3-19-9(16)5-13-10(17)8-4-14-12-15(11(8)18)7(2)6-20-12/h4,6H,3,5H2,1-2H3,(H,13,17).
What are the key properties of ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 295.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 4549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).