methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate

C10H17N3O2S — CID 14749036

IUPACmethyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)8-11-9(16-12-8)13(4)6-7(14)15-5/h6H2,1-5H3
InChIKeyACTZGYFPKBRZNR-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate

methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate (PubChem CID 14749036) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate
PubChem CID14749036
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Namemethyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H17N3O2S/c1-10(2,3)8-11-9(16-12-8)13(4)6-7(14)15-5/h6H2,1-5H3
InChIKeyACTZGYFPKBRZNR-UHFFFAOYSA-N
XLogP1.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate (CID 14749036) is methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate is COC(=O)CN(C)c1nc(C(C)(C)C)ns1.
What is the InChIKey of methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate?
The InChIKey is ACTZGYFPKBRZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,3)8-11-9(16-12-8)13(4)6-7(14)15-5/h6H2,1-5H3.
What are the key properties of methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate?
methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate has a molecular weight of 243.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetate is sourced from PubChem (CID 14749036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).