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

C8H15N3OS — CID 65208394

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNCCOc1nnc(C)s1
InChIInChI=1S/C8H15N3OS/c1-3-4-9-5-6-12-8-11-10-7(2)13-8/h9H,3-6H2,1-2H3
InChIKeyUJADKGXOPMRYEZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.22
Rot. Bonds6

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

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine (PubChem CID 65208394) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine
PubChem CID65208394
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNCCOc1nnc(C)s1
InChIInChI=1S/C8H15N3OS/c1-3-4-9-5-6-12-8-11-10-7(2)13-8/h9H,3-6H2,1-2H3
InChIKeyUJADKGXOPMRYEZ-UHFFFAOYSA-N
XLogP1.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]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

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65704571
N-(2-methoxyethyl)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65716161
2-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65717148
2-methoxy-N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623719
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623915
2-methoxy-N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624189
N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 82006746
N-[[5-(2,2-difluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 82006999
N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 82956785
2-methoxy-N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 82958388
N-(2-methoxyethyl)-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104633095
N-(2-methoxyethyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113435288

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine (CID 65208394) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine is CCCNCCOc1nnc(C)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine?
The InChIKey is UJADKGXOPMRYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-4-9-5-6-12-8-11-10-7(2)13-8/h9H,3-6H2,1-2H3.
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 65208394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).