methyl 5-(methoxymethyl)thiadiazole-4-carboxylate

C6H8N2O3S — CID 2825090

IUPACmethyl 5-(methoxymethyl)thiadiazole-4-carboxylate
SMILESCOCc1snnc1C(=O)OC
InChIInChI=1S/C6H8N2O3S/c1-10-3-4-5(6(9)11-2)7-8-12-4/h3H2,1-2H3
InChIKeyOWHIVDUCQOYGSV-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.47
Rot. Bonds3

About methyl 5-(methoxymethyl)thiadiazole-4-carboxylate

methyl 5-(methoxymethyl)thiadiazole-4-carboxylate (PubChem CID 2825090) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)thiadiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)thiadiazole-4-carboxylate
PubChem CID2825090
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Namemethyl 5-(methoxymethyl)thiadiazole-4-carboxylate
SMILESCOCc1snnc1C(=O)OC
InChIInChI=1S/C6H8N2O3S/c1-10-3-4-5(6(9)11-2)7-8-12-4/h3H2,1-2H3
InChIKeyOWHIVDUCQOYGSV-UHFFFAOYSA-N
XLogP0.47
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)thiadiazole-4-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)thiadiazole-4-carboxylate (CID 2825090) is methyl 5-(methoxymethyl)thiadiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)thiadiazole-4-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)thiadiazole-4-carboxylate is COCc1snnc1C(=O)OC.
What is the InChIKey of methyl 5-(methoxymethyl)thiadiazole-4-carboxylate?
The InChIKey is OWHIVDUCQOYGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-10-3-4-5(6(9)11-2)7-8-12-4/h3H2,1-2H3.
What are the key properties of methyl 5-(methoxymethyl)thiadiazole-4-carboxylate?
methyl 5-(methoxymethyl)thiadiazole-4-carboxylate has a molecular weight of 188.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)thiadiazole-4-carboxylate is sourced from PubChem (CID 2825090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).