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

C7H11N3O2S — CID 65267448

IUPACethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-3-12-6(11)4-8-7-9-5(2)10-13-7/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyIBINDCKQCMZIDI-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.82
Rot. Bonds4

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

ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 65267448) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID65267448
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Nameethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-3-12-6(11)4-8-7-9-5(2)10-13-7/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyIBINDCKQCMZIDI-UHFFFAOYSA-N
XLogP0.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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 ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 65267448) is ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate is CCOC(=O)CNc1nc(C)ns1.
What is the InChIKey of ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is IBINDCKQCMZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-12-6(11)4-8-7-9-5(2)10-13-7/h3-4H2,1-2H3,(H,8,9,10).
What are the key properties of ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate?
ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 201.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 65267448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).