2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine

C7H13N3OS — CID 65273403

IUPAC2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine
SMILESCc1nsc(OCC(C)(C)N)n1
InChIInChI=1S/C7H13N3OS/c1-5-9-6(12-10-5)11-4-7(2,3)8/h4,8H2,1-3H3
InChIKeyUCNDYHVRYJEEJX-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.96
Rot. Bonds3

About 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine

2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine (PubChem CID 65273403) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine
PubChem CID65273403
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine
SMILESCc1nsc(OCC(C)(C)N)n1
InChIInChI=1S/C7H13N3OS/c1-5-9-6(12-10-5)11-4-7(2,3)8/h4,8H2,1-3H3
InChIKeyUCNDYHVRYJEEJX-UHFFFAOYSA-N
XLogP0.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine (CID 65273403) is 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine is Cc1nsc(OCC(C)(C)N)n1.
What is the InChIKey of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine?
The InChIKey is UCNDYHVRYJEEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5-9-6(12-10-5)11-4-7(2,3)8/h4,8H2,1-3H3.
What are the key properties of 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine?
2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine has a molecular weight of 187.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-amine is sourced from PubChem (CID 65273403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).