1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine

C15H16N4S — CID 105097449

IUPAC1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCCc1nnsc1C(NC)c1cnc2ccccc2c1
InChIInChI=1S/C15H16N4S/c1-3-12-15(20-19-18-12)14(16-2)11-8-10-6-4-5-7-13(10)17-9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyKEDJYTHNEUZPIR-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine (PubChem CID 105097449) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
PubChem CID105097449
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCCc1nnsc1C(NC)c1cnc2ccccc2c1
InChIInChI=1S/C15H16N4S/c1-3-12-15(20-19-18-12)14(16-2)11-8-10-6-4-5-7-13(10)17-9-11/h4-9,14,16H,3H2,1-2H3
InChIKeyKEDJYTHNEUZPIR-UHFFFAOYSA-N
XLogP2.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
[(4-methylthiadiazol-5-yl)-quinolin-3-ylmethyl]hydrazine
CID 105286857
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
N-methyl-1-(2-methylphenyl)-1-quinolin-3-ylmethanamine
CID 60924531
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
CID 105097381
N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
CID 105172687
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine (CID 105097449) is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine is CCc1nnsc1C(NC)c1cnc2ccccc2c1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine?
The InChIKey is KEDJYTHNEUZPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-3-12-15(20-19-18-12)14(16-2)11-8-10-6-4-5-7-13(10)17-9-11/h4-9,14,16H,3H2,1-2H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine?
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine is sourced from PubChem (CID 105097449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).