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

C13H15N3O4S — CID 47981162

IUPACmethyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c1-8(12(19)20-3)7-15(2)10(17)9-6-14-13-16(11(9)18)4-5-21-13/h4-6,8H,7H2,1-3H3
InChIKeyGNQUBOULNACIQY-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.64
Rot. Bonds4

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

methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (PubChem CID 47981162) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
PubChem CID47981162
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Namemethyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c1-8(12(19)20-3)7-15(2)10(17)9-6-14-13-16(11(9)18)4-5-21-13/h4-6,8H,7H2,1-3H3
InChIKeyGNQUBOULNACIQY-UHFFFAOYSA-N
XLogP0.64
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (CID 47981162) is methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The InChIKey is GNQUBOULNACIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8(12(19)20-3)7-15(2)10(17)9-6-14-13-16(11(9)18)4-5-21-13/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate has a molecular weight of 309.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 47981162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).