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

C14H19N3OS — CID 114783134

IUPACN-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
SMILESCCc1nsc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C14H19N3OS/c1-2-13-16-14(19-17-13)18-10-6-9-15-11-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChIKeyWEEDWBJHTMAWKP-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.66
Rot. Bonds8

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

N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine (PubChem CID 114783134) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
PubChem CID114783134
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
SMILESCCc1nsc(OCCCNCc2ccccc2)n1
InChIInChI=1S/C14H19N3OS/c1-2-13-16-14(19-17-13)18-10-6-9-15-11-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3
InChIKeyWEEDWBJHTMAWKP-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783183
N-benzyl-3-(1,3-thiazol-2-yloxy)propan-1-amine
CID 114783181
N-benzyl-3-[(4-methyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783127
N-benzyl-3-(1,3,4-thiadiazol-2-yloxy)propan-1-amine
CID 114783212
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzyl-3-[(5-nitro-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 102771888
N-benzyl-3-(5-bromo-4-methoxypyrimidin-2-yl)oxypropan-1-amine
CID 106999618
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine (CID 114783134) is N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine is CCc1nsc(OCCCNCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The InChIKey is WEEDWBJHTMAWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-13-16-14(19-17-13)18-10-6-9-15-11-12-7-4-3-5-8-12/h3-5,7-8,15H,2,6,9-11H2,1H3.
What are the key properties of N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine is sourced from PubChem (CID 114783134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).