N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

C15H16N4S — CID 105172512

IUPACN-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnsn1)c1cccc2cccnc12
InChIInChI=1S/C15H16N4S/c1-2-8-16-15(13-10-18-20-19-13)12-7-3-5-11-6-4-9-17-14(11)12/h3-7,9-10,15-16H,2,8H2,1H3
InChIKeyXHBVVEWBEMVBLY-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.18
Rot. Bonds5

About N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (PubChem CID 105172512) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
PubChem CID105172512
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnsn1)c1cccc2cccnc12
InChIInChI=1S/C15H16N4S/c1-2-8-16-15(13-10-18-20-19-13)12-7-3-5-11-6-4-9-17-14(11)12/h3-7,9-10,15-16H,2,8H2,1H3
InChIKeyXHBVVEWBEMVBLY-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-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
CID 105118765
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[(4-bromothiophen-2-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 81228406
N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105097727
N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105141684
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
CID 105179292
N-(2-methoxy-1-quinolin-8-ylethyl)propan-1-amine
CID 81231808
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
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718

Frequently Asked Questions

What is the IUPAC name of N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (CID 105172512) is N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is CCCNC(c1cnsn1)c1cccc2cccnc12.
What is the InChIKey of N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The InChIKey is XHBVVEWBEMVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-8-16-15(13-10-18-20-19-13)12-7-3-5-11-6-4-9-17-14(11)12/h3-7,9-10,15-16H,2,8H2,1H3.
What are the key properties of N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
N-[quinolin-8-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-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105172512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).