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

C11H11N3O4S — CID 43408834

IUPACmethyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-13(6-8(15)18-2)9(16)7-5-12-11-14(10(7)17)3-4-19-11/h3-5H,6H2,1-2H3
InChIKeyBDEXMPKJDJORRM-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.00
Rot. Bonds3

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

methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 43408834) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
PubChem CID43408834
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-13(6-8(15)18-2)9(16)7-5-12-11-14(10(7)17)3-4-19-11/h3-5H,6H2,1-2H3
InChIKeyBDEXMPKJDJORRM-UHFFFAOYSA-N
XLogP0.00
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (CID 43408834) is methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is BDEXMPKJDJORRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-13(6-8(15)18-2)9(16)7-5-12-11-14(10(7)17)3-4-19-11/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 281.29 g/mol, XLogP of 0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 43408834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).