N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine

C16H18N4S — CID 105172687

IUPACN-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)c1snnc1CC
InChIInChI=1S/C16H18N4S/c1-3-13-16(21-20-19-13)15(17-4-2)12-8-7-11-6-5-9-18-14(11)10-12/h5-10,15,17H,3-4H2,1-2H3
InChIKeyGRGAEDXPYGCLIX-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.35
Rot. Bonds5

About N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine

N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine (PubChem CID 105172687) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
PubChem CID105172687
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)c1snnc1CC
InChIInChI=1S/C16H18N4S/c1-3-13-16(21-20-19-13)15(17-4-2)12-8-7-11-6-5-9-18-14(11)10-12/h5-10,15,17H,3-4H2,1-2H3
InChIKeyGRGAEDXPYGCLIX-UHFFFAOYSA-N
XLogP3.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine
CID 105327517
N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105172648
N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
CID 105021434
N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 105146355
N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210647
N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210398
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
N-[(2,5-dibromothiophen-3-yl)-quinolin-7-ylmethyl]ethanamine
CID 107968835
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105141158
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine (CID 105172687) is N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine is CCNC(c1ccc2cccnc2c1)c1snnc1CC.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine?
The InChIKey is GRGAEDXPYGCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-13-16(21-20-19-13)15(17-4-2)12-8-7-11-6-5-9-18-14(11)10-12/h5-10,15,17H,3-4H2,1-2H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine?
N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine has a molecular weight of 298.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine is sourced from PubChem (CID 105172687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).