methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate

C11H14N4O3S — CID 60677123

IUPACmethyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C11H14N4O3S/c1-7-4-9(16)15-11(12-7)19-8(13-15)5-14(2)6-10(17)18-3/h4H,5-6H2,1-3H3
InChIKeyISXPPBKXDOOHLV-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.06
Rot. Bonds4

About methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate

methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate (PubChem CID 60677123) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate
PubChem CID60677123
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Namemethyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C11H14N4O3S/c1-7-4-9(16)15-11(12-7)19-8(13-15)5-14(2)6-10(17)18-3/h4H,5-6H2,1-3H3
InChIKeyISXPPBKXDOOHLV-UHFFFAOYSA-N
XLogP0.06
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate (CID 60677123) is methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate is COC(=O)CN(C)Cc1nn2c(=O)cc(C)nc2s1.
What is the InChIKey of methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate?
The InChIKey is ISXPPBKXDOOHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7-4-9(16)15-11(12-7)19-8(13-15)5-14(2)6-10(17)18-3/h4H,5-6H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate?
methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate has a molecular weight of 282.32 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]acetate is sourced from PubChem (CID 60677123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).