N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine

C14H14N4S — CID 105171948

IUPACN-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cnns1)c1cccc2ncccc12
InChIInChI=1S/C14H14N4S/c1-2-15-14(13-9-17-18-19-13)11-5-3-7-12-10(11)6-4-8-16-12/h3-9,14-15H,2H2,1H3
InChIKeyHDRQAOXXPQDXDN-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.79
Rot. Bonds4

About N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine

N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine (PubChem CID 105171948) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
PubChem CID105171948
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cnns1)c1cccc2ncccc12
InChIInChI=1S/C14H14N4S/c1-2-15-14(13-9-17-18-19-13)11-5-3-7-12-10(11)6-4-8-16-12/h3-9,14-15H,2H2,1H3
InChIKeyHDRQAOXXPQDXDN-UHFFFAOYSA-N
XLogP2.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105020108
N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
CID 105100347
N-ethyl-1-quinolin-5-ylprop-2-yn-1-amine
CID 105158296
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643
N,3-diethyl-1-quinolin-5-ylpentan-1-amine
CID 105176769
N-ethyl-2,2-dimethoxy-1-quinolin-5-ylethanamine
CID 81231933

Frequently Asked Questions

What is the IUPAC name of N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine (CID 105171948) is N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine is CCNC(c1cnns1)c1cccc2ncccc12.
What is the InChIKey of N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine?
The InChIKey is HDRQAOXXPQDXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-15-14(13-9-17-18-19-13)11-5-3-7-12-10(11)6-4-8-16-12/h3-9,14-15H,2H2,1H3.
What are the key properties of N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine?
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105171948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).