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

C11H13N3O4S — CID 43408838

IUPACmethyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H13N3O4S/c1-13(6-8(15)18-2)9(16)7-5-12-11-14(10(7)17)3-4-19-11/h5H,3-4,6H2,1-2H3
InChIKeyMJSDKQKREPEOKK-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.41
Rot. Bonds3

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

methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 43408838) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
PubChem CID43408838
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Namemethyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H13N3O4S/c1-13(6-8(15)18-2)9(16)7-5-12-11-14(10(7)17)3-4-19-11/h5H,3-4,6H2,1-2H3
InChIKeyMJSDKQKREPEOKK-UHFFFAOYSA-N
XLogP-0.41
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate (CID 43408838) is methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is MJSDKQKREPEOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-13(6-8(15)18-2)9(16)7-5-12-11-14(10(7)17)3-4-19-11/h5H,3-4,6H2,1-2H3.
What are the key properties of methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate?
methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 283.31 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 43408838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).