2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine

C12H15N3S — CID 65280107

IUPAC2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
SMILESCCc1nsc(CC(N)c2ccccc2)n1
InChIInChI=1S/C12H15N3S/c1-2-11-14-12(16-15-11)8-10(13)9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3
InChIKeyNXHFMVBKEQJNHS-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.34
Rot. Bonds4

About 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine

2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine (PubChem CID 65280107) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
PubChem CID65280107
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
SMILESCCc1nsc(CC(N)c2ccccc2)n1
InChIInChI=1S/C12H15N3S/c1-2-11-14-12(16-15-11)8-10(13)9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3
InChIKeyNXHFMVBKEQJNHS-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65272739
1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280169
1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280536
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
CID 65280352
1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine
CID 65280108
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
CID 63196981
5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole
CID 65272745
2-(5-ethylfuran-2-yl)-1-phenylethanamine
CID 62717971
1-(3-ethyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65280066
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
The IUPAC name of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine (CID 65280107) is 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
The canonical SMILES for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine is CCc1nsc(CC(N)c2ccccc2)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
The InChIKey is NXHFMVBKEQJNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-11-14-12(16-15-11)8-10(13)9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3.
What are the key properties of 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine is sourced from PubChem (CID 65280107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).