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

C10H9N3O4S — CID 43408666

IUPACmethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9N3O4S/c1-17-7(14)5-11-8(15)6-4-12-10-13(9(6)16)2-3-18-10/h2-4H,5H2,1H3,(H,11,15)
InChIKeyPLKGLXBFDDNJFN-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.34
Rot. Bonds3

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

methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 43408666) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
PubChem CID43408666
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Namemethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C10H9N3O4S/c1-17-7(14)5-11-8(15)6-4-12-10-13(9(6)16)2-3-18-10/h2-4H,5H2,1H3,(H,11,15)
InChIKeyPLKGLXBFDDNJFN-UHFFFAOYSA-N
XLogP-0.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (CID 43408666) is methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is PLKGLXBFDDNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-17-7(14)5-11-8(15)6-4-12-10-13(9(6)16)2-3-18-10/h2-4H,5H2,1H3,(H,11,15).
What are the key properties of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 267.27 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 43408666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).