methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate

C6H8N4O2S — CID 58430327

IUPACmethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate
SMILESC/N=C(\C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C6H8N4O2S/c1-8-3(5(11)12-2)4-9-6(7)13-10-4/h1-2H3,(H2,7,9,10)/b8-3-
InChIKeyQLVPCXKYVIQNBC-BAQGIRSFSA-N
MW200.22 g/mol
LogP-0.29
Rot. Bonds2

About methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate

methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate (PubChem CID 58430327) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate
PubChem CID58430327
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate
SMILESC/N=C(\C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C6H8N4O2S/c1-8-3(5(11)12-2)4-9-6(7)13-10-4/h1-2H3,(H2,7,9,10)/b8-3-
InChIKeyQLVPCXKYVIQNBC-BAQGIRSFSA-N
XLogP-0.29
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate?
The IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate (CID 58430327) is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate.
What is the SMILES notation for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate?
The canonical SMILES for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate is C/N=C(\C(=O)OC)c1nsc(N)n1.
What is the InChIKey of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate?
The InChIKey is QLVPCXKYVIQNBC-BAQGIRSFSA-N. The full InChI is InChI=1S/C6H8N4O2S/c1-8-3(5(11)12-2)4-9-6(7)13-10-4/h1-2H3,(H2,7,9,10)/b8-3-.
What are the key properties of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate?
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate has a molecular weight of 200.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyliminoacetate is sourced from PubChem (CID 58430327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).