2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine

C11H13N3OS — CID 65273584

IUPAC2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
SMILESCc1nsc(Oc2ccc(CCN)cc2)n1
InChIInChI=1S/C11H13N3OS/c1-8-13-11(16-14-8)15-10-4-2-9(3-5-10)6-7-12/h2-5H,6-7,12H2,1H3
InChIKeyABIRIJMLKUROLS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.14
Rot. Bonds4

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

2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine (PubChem CID 65273584) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
PubChem CID65273584
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
SMILESCc1nsc(Oc2ccc(CCN)cc2)n1
InChIInChI=1S/C11H13N3OS/c1-8-13-11(16-14-8)15-10-4-2-9(3-5-10)6-7-12/h2-5H,6-7,12H2,1H3
InChIKeyABIRIJMLKUROLS-UHFFFAOYSA-N
XLogP2.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine 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 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine (CID 65273584) is 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine is Cc1nsc(Oc2ccc(CCN)cc2)n1.
What is the InChIKey of 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
The InChIKey is ABIRIJMLKUROLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-13-11(16-14-8)15-10-4-2-9(3-5-10)6-7-12/h2-5H,6-7,12H2,1H3.
What are the key properties of 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine has a molecular weight of 235.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 65273584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).