methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate

C7H11N3O2S — CID 65268035

IUPACmethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-4(6(11)12-3)8-7-9-5(2)10-13-7/h4H,1-3H3,(H,8,9,10)
InChIKeyYJSXTTOWLKDBPE-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate

methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate (PubChem CID 65268035) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
PubChem CID65268035
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-4(6(11)12-3)8-7-9-5(2)10-13-7/h4H,1-3H3,(H,8,9,10)
InChIKeyYJSXTTOWLKDBPE-UHFFFAOYSA-N
XLogP0.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The IUPAC name of methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate (CID 65268035) is methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate is COC(=O)C(C)Nc1nc(C)ns1.
What is the InChIKey of methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The InChIKey is YJSXTTOWLKDBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4(6(11)12-3)8-7-9-5(2)10-13-7/h4H,1-3H3,(H,8,9,10).
What are the key properties of methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate has a molecular weight of 201.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 65268035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).