methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate

C7H9N3O3S — CID 7576836

IUPACmethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1snnc1C
InChIInChI=1S/C7H9N3O3S/c1-4-6(14-10-9-4)7(12)8-3-5(11)13-2/h3H2,1-2H3,(H,8,12)
InChIKeyQAUXZIWZWNDQBX-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.25
Rot. Bonds3

About methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate

methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate (PubChem CID 7576836) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate
PubChem CID7576836
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Namemethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1snnc1C
InChIInChI=1S/C7H9N3O3S/c1-4-6(14-10-9-4)7(12)8-3-5(11)13-2/h3H2,1-2H3,(H,8,12)
InChIKeyQAUXZIWZWNDQBX-UHFFFAOYSA-N
XLogP-0.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate (CID 7576836) is methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1snnc1C.
What is the InChIKey of methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
The InChIKey is QAUXZIWZWNDQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-4-6(14-10-9-4)7(12)8-3-5(11)13-2/h3H2,1-2H3,(H,8,12).
What are the key properties of methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate?
methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate has a molecular weight of 215.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylthiadiazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 7576836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).