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

C11H17N3O4S — CID 21458538

IUPACethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
SMILESCCOC(=O)Cc1nsc(NC(=O)OCC(C)C)n1
InChIInChI=1S/C11H17N3O4S/c1-4-17-9(15)5-8-12-10(19-14-8)13-11(16)18-6-7(2)3/h7H,4-6H2,1-3H3,(H,12,13,14,16)
InChIKeyWMRNNJHCNORSGG-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.85
Rot. Bonds6

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

ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate (PubChem CID 21458538) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
PubChem CID21458538
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
SMILESCCOC(=O)Cc1nsc(NC(=O)OCC(C)C)n1
InChIInChI=1S/C11H17N3O4S/c1-4-17-9(15)5-8-12-10(19-14-8)13-11(16)18-6-7(2)3/h7H,4-6H2,1-3H3,(H,12,13,14,16)
InChIKeyWMRNNJHCNORSGG-UHFFFAOYSA-N
XLogP1.85
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate (CID 21458538) is ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate is CCOC(=O)Cc1nsc(NC(=O)OCC(C)C)n1.
What is the InChIKey of ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
The InChIKey is WMRNNJHCNORSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-4-17-9(15)5-8-12-10(19-14-8)13-11(16)18-6-7(2)3/h7H,4-6H2,1-3H3,(H,12,13,14,16).
What are the key properties of ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate has a molecular weight of 287.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-methylpropoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate is sourced from PubChem (CID 21458538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).