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

C12H15N3O3S — CID 55028643

IUPACmethyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C12H15N3O3S/c1-8-7-19-12-13-9(4-10(16)15(8)12)5-14(2)6-11(17)18-3/h4,7H,5-6H2,1-3H3
InChIKeyBDWHDQXYRPIICW-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.67
Rot. Bonds4

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

methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate (PubChem CID 55028643) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
PubChem CID55028643
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Namemethyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C12H15N3O3S/c1-8-7-19-12-13-9(4-10(16)15(8)12)5-14(2)6-11(17)18-3/h4,7H,5-6H2,1-3H3
InChIKeyBDWHDQXYRPIICW-UHFFFAOYSA-N
XLogP0.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate (CID 55028643) is methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate is COC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
The InChIKey is BDWHDQXYRPIICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-7-19-12-13-9(4-10(16)15(8)12)5-14(2)6-11(17)18-3/h4,7H,5-6H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate has a molecular weight of 281.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate is sourced from PubChem (CID 55028643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).