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

C6H8N2O2S — CID 14953560

IUPACmethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate
SMILESCOC(=O)Cc1nc(C)ns1
InChIInChI=1S/C6H8N2O2S/c1-4-7-5(11-8-4)3-6(9)10-2/h3H2,1-2H3
InChIKeyZTWJAXFDUYSPCH-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.56
Rot. Bonds2

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

methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate (PubChem CID 14953560) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate
PubChem CID14953560
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Namemethyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate
SMILESCOC(=O)Cc1nc(C)ns1
InChIInChI=1S/C6H8N2O2S/c1-4-7-5(11-8-4)3-6(9)10-2/h3H2,1-2H3
InChIKeyZTWJAXFDUYSPCH-UHFFFAOYSA-N
XLogP0.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate (CID 14953560) is methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate is COC(=O)Cc1nc(C)ns1.
What is the InChIKey of methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
The InChIKey is ZTWJAXFDUYSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-4-7-5(11-8-4)3-6(9)10-2/h3H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate?
methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate has a molecular weight of 172.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-1,2,4-thiadiazol-5-yl)acetate is sourced from PubChem (CID 14953560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).