methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate

C13H15N3O4S — CID 60714406

IUPACmethyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c1-15(5-3-4-10(17)20-2)11(18)9-8-14-13-16(12(9)19)6-7-21-13/h6-8H,3-5H2,1-2H3
InChIKeyRRZPSGSTTMVMEK-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.78
Rot. Bonds5

About methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate

methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate (PubChem CID 60714406) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate
PubChem CID60714406
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Namemethyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c1-15(5-3-4-10(17)20-2)11(18)9-8-14-13-16(12(9)19)6-7-21-13/h6-8H,3-5H2,1-2H3
InChIKeyRRZPSGSTTMVMEK-UHFFFAOYSA-N
XLogP0.78
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate (CID 60714406) is methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
The InChIKey is RRZPSGSTTMVMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-15(5-3-4-10(17)20-2)11(18)9-8-14-13-16(12(9)19)6-7-21-13/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate?
methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate has a molecular weight of 309.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoate is sourced from PubChem (CID 60714406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).