ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate

C11H11N3O4S — CID 16933416

IUPACethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-3-18-10(17)8(15)13-7-6(2)12-11-14(9(7)16)4-5-19-11/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyDMARBKTTXHHWFZ-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.57
Rot. Bonds2

About ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate

ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate (PubChem CID 16933416) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
PubChem CID16933416
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Nameethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-3-18-10(17)8(15)13-7-6(2)12-11-14(9(7)16)4-5-19-11/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyDMARBKTTXHHWFZ-UHFFFAOYSA-N
XLogP0.57
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate (CID 16933416) is ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1c(C)nc2sccn2c1=O.
What is the InChIKey of ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate?
The InChIKey is DMARBKTTXHHWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-3-18-10(17)8(15)13-7-6(2)12-11-14(9(7)16)4-5-19-11/h4-5H,3H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate?
ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate has a molecular weight of 281.29 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate is sourced from PubChem (CID 16933416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).