1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine

C10H19N3OS — CID 65274595

IUPAC1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-9(2,3)7-12-8(15-13-7)14-6-10(4,5)11/h6,11H2,1-5H3
InChIKeyYHEBNTUKCHZBGV-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.95
Rot. Bonds3

About 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine

1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine (PubChem CID 65274595) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine
PubChem CID65274595
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine
SMILESCC(C)(N)COc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-9(2,3)7-12-8(15-13-7)14-6-10(4,5)11/h6,11H2,1-5H3
InChIKeyYHEBNTUKCHZBGV-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine (CID 65274595) is 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine is CC(C)(N)COc1nc(C(C)(C)C)ns1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine?
The InChIKey is YHEBNTUKCHZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-9(2,3)7-12-8(15-13-7)14-6-10(4,5)11/h6,11H2,1-5H3.
What are the key properties of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine?
1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylpropan-2-amine is sourced from PubChem (CID 65274595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).