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

C10H12N4O3S — CID 60673171

IUPACmethyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C10H12N4O3S/c1-13(5-9(16)17-2)4-7-3-8(15)14-10(12-7)18-6-11-14/h3,6H,4-5H2,1-2H3
InChIKeyLXIOZTAALVRJCQ-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.24
Rot. Bonds4

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

methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate (PubChem CID 60673171) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
PubChem CID60673171
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Namemethyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C10H12N4O3S/c1-13(5-9(16)17-2)4-7-3-8(15)14-10(12-7)18-6-11-14/h3,6H,4-5H2,1-2H3
InChIKeyLXIOZTAALVRJCQ-UHFFFAOYSA-N
XLogP-0.24
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate (CID 60673171) is methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate is COC(=O)CN(C)Cc1cc(=O)n2ncsc2n1.
What is the InChIKey of methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
The InChIKey is LXIOZTAALVRJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-13(5-9(16)17-2)4-7-3-8(15)14-10(12-7)18-6-11-14/h3,6H,4-5H2,1-2H3.
What are the key properties of methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate?
methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate has a molecular weight of 268.30 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate is sourced from PubChem (CID 60673171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).