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

C11H11N3O4S — CID 4142858

IUPACethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-2-18-8(15)6-12-9(16)7-5-13-11-14(10(7)17)3-4-19-11/h3-5H,2,6H2,1H3,(H,12,16)
InChIKeyITFWADTYQCDGNQ-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.05
Rot. Bonds4

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

ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 4142858) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
PubChem CID4142858
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Nameethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-2-18-8(15)6-12-9(16)7-5-13-11-14(10(7)17)3-4-19-11/h3-5H,2,6H2,1H3,(H,12,16)
InChIKeyITFWADTYQCDGNQ-UHFFFAOYSA-N
XLogP0.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (CID 4142858) is ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is ITFWADTYQCDGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-2-18-8(15)6-12-9(16)7-5-13-11-14(10(7)17)3-4-19-11/h3-5H,2,6H2,1H3,(H,12,16).
What are the key properties of ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 281.29 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 4142858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).