3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid

C10H17N3O3S — CID 106108579

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C(C)(C)C)ns1)C(=O)O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)8-12-9(17-13-8)11-5-6(16-4)7(14)15/h6H,5H2,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyRPHKUQQJGIRWDL-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.35
Rot. Bonds5

About 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid (PubChem CID 106108579) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
PubChem CID106108579
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C(C)(C)C)ns1)C(=O)O
InChIInChI=1S/C10H17N3O3S/c1-10(2,3)8-12-9(17-13-8)11-5-6(16-4)7(14)15/h6H,5H2,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyRPHKUQQJGIRWDL-UHFFFAOYSA-N
XLogP1.35
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid (CID 106108579) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid is COC(CNc1nc(C(C)(C)C)ns1)C(=O)O.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
The InChIKey is RPHKUQQJGIRWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,3)8-12-9(17-13-8)11-5-6(16-4)7(14)15/h6H,5H2,1-4H3,(H,14,15)(H,11,12,13).
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid has a molecular weight of 259.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).