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

C15H16N4S — CID 105097727

IUPACN-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)c1cnsn1
InChIInChI=1S/C15H16N4S/c1-2-7-16-15(14-10-18-20-19-14)12-8-11-5-3-4-6-13(11)17-9-12/h3-6,8-10,15-16H,2,7H2,1H3
InChIKeyHZBXUDKQPCLHOH-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.18
Rot. Bonds5

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

N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (PubChem CID 105097727) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
PubChem CID105097727
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)c1cnsn1
InChIInChI=1S/C15H16N4S/c1-2-7-16-15(14-10-18-20-19-14)12-8-11-5-3-4-6-13(11)17-9-12/h3-6,8-10,15-16H,2,7H2,1H3
InChIKeyHZBXUDKQPCLHOH-UHFFFAOYSA-N
XLogP3.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105141684
2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718
N-[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141468
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 82887052
N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105172512
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726
N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
CID 60923858
2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
CID 116720466
N-[(7-chloro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186994
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506

Frequently Asked Questions

What is the IUPAC name of N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (CID 105097727) is N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is CCCNC(c1cnc2ccccc2c1)c1cnsn1.
What is the InChIKey of N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The InChIKey is HZBXUDKQPCLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-7-16-15(14-10-18-20-19-14)12-8-11-5-3-4-6-13(11)17-9-12/h3-6,8-10,15-16H,2,7H2,1H3.
What are the key properties of N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine has a molecular weight of 284.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105097727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).