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

C12H15N3OS — CID 65274967

IUPAC2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
SMILESCCc1nsc(Oc2ccc(CCN)cc2)n1
InChIInChI=1S/C12H15N3OS/c1-2-11-14-12(17-15-11)16-10-5-3-9(4-6-10)7-8-13/h3-6H,2,7-8,13H2,1H3
InChIKeyBIHBROSXTWBBGR-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.39
Rot. Bonds5

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

2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine (PubChem CID 65274967) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
PubChem CID65274967
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
SMILESCCc1nsc(Oc2ccc(CCN)cc2)n1
InChIInChI=1S/C12H15N3OS/c1-2-11-14-12(17-15-11)16-10-5-3-9(4-6-10)7-8-13/h3-6H,2,7-8,13H2,1H3
InChIKeyBIHBROSXTWBBGR-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
CID 65273584
4-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenoxy]benzonitrile
CID 133428811
2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273845
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
methyl 4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]benzoate
CID 65274735
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline
CID 65274012
2-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanol
CID 104952806
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
3-cyclopropyl-5-[4-(2-methoxyethyl)phenoxy]-1,2,4-thiadiazole
CID 133424742
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
3-(chloromethyl)-5-phenoxy-1,2,4-thiadiazole
CID 13106144

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine (CID 65274967) is 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine is CCc1nsc(Oc2ccc(CCN)cc2)n1.
What is the InChIKey of 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
The InChIKey is BIHBROSXTWBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-11-14-12(17-15-11)16-10-5-3-9(4-6-10)7-8-13/h3-6H,2,7-8,13H2,1H3.
What are the key properties of 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine?
2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 65274967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).