N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine

C15H16N4S — CID 105172388

IUPACN-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ncccc2c1)c1cnns1
InChIInChI=1S/C15H16N4S/c1-2-7-17-15(14-10-18-19-20-14)12-5-6-13-11(9-12)4-3-8-16-13/h3-6,8-10,15,17H,2,7H2,1H3
InChIKeyMUTJMRXHVOPYGX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.18
Rot. Bonds5

About N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine

N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105172388) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105172388
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ncccc2c1)c1cnns1
InChIInChI=1S/C15H16N4S/c1-2-7-17-15(14-10-18-19-20-14)12-5-6-13-11(9-12)4-3-8-16-13/h3-6,8-10,15,17H,2,7H2,1H3
InChIKeyMUTJMRXHVOPYGX-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-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
N-[quinolin-6-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105172339
N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
CID 105172703
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 78917810
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447
N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105172648
N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105021397
N-[pyrazin-2-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105150036
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-(2-butan-2-ylsulfanyl-1-quinolin-6-ylethyl)propan-1-amine
CID 81228662

Frequently Asked Questions

What is the IUPAC name of N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine (CID 105172388) is N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccc2ncccc2c1)c1cnns1.
What is the InChIKey of N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is MUTJMRXHVOPYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-7-17-15(14-10-18-19-20-14)12-5-6-13-11(9-12)4-3-8-16-13/h3-6,8-10,15,17H,2,7H2,1H3.
What are the key properties of N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine?
N-[quinolin-6-yl(thiadiazol-5-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-6-yl(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105172388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).