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

C11H11N3O4S — CID 10564762

IUPACmethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-6(10(17)18-2)13-8(15)7-5-12-11-14(9(7)16)3-4-19-11/h3-6H,1-2H3,(H,13,15)
InChIKeyFLBXVKQGGYOHPC-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.05
Rot. Bonds3

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

methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (PubChem CID 10564762) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
PubChem CID10564762
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-6(10(17)18-2)13-8(15)7-5-12-11-14(9(7)16)3-4-19-11/h3-6H,1-2H3,(H,13,15)
InChIKeyFLBXVKQGGYOHPC-UHFFFAOYSA-N
XLogP0.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
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

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

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Related Compounds

N-(2-methoxyethyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248323
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
N-(sec-butyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248282
N-(2-methoxyethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248286
N-(1-methoxypropan-2-yl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248313
N-(1-Methoxypropan-2-YL)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 17248348
N-(1-hydroxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43418578
7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469320
N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469535
3-tert-butyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470173
7-ethylsulfanyl-N-(2-methoxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470788
7-hydroxy-N-(2-methoxyethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (CID 10564762) is methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The InChIKey is FLBXVKQGGYOHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-6(10(17)18-2)13-8(15)7-5-12-11-14(9(7)16)3-4-19-11/h3-6H,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate has a molecular weight of 281.29 g/mol, XLogP of 0.05, 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]propanoate is sourced from PubChem (CID 10564762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).