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

C15H16N4OS — CID 107387765

IUPACN-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(Oc2cnc3ccccc3c2)s1
InChIInChI=1S/C15H16N4OS/c1-2-7-16-10-14-18-19-15(21-14)20-12-8-11-5-3-4-6-13(11)17-9-12/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyYBMOHPGXFNRVEA-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.38
Rot. Bonds6

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

N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine (PubChem CID 107387765) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
PubChem CID107387765
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(Oc2cnc3ccccc3c2)s1
InChIInChI=1S/C15H16N4OS/c1-2-7-16-10-14-18-19-15(21-14)20-12-8-11-5-3-4-6-13(11)17-9-12/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyYBMOHPGXFNRVEA-UHFFFAOYSA-N
XLogP3.38
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-iodophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620568
N-[[5-(3-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80619929
N-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620017
N-propyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387874
N-[[5-[(2-methylpropan-2-yl)oxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623506
N-propyl-4-quinolin-3-yloxypentan-1-amine
CID 107387881
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80624767
N-[[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620748
N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 81346533
N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623942
N-[[5-(3,5-dimethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624392
N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine
CID 107387936

Frequently Asked Questions

What is the IUPAC name of N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine (CID 107387765) is N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine is CCCNCc1nnc(Oc2cnc3ccccc3c2)s1.
What is the InChIKey of N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is YBMOHPGXFNRVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-7-16-10-14-18-19-15(21-14)20-12-8-11-5-3-4-6-13(11)17-9-12/h3-6,8-9,16H,2,7,10H2,1H3.
What are the key properties of N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine?
N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 300.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-quinolin-3-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107387765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).