1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine

C16H18N4S — CID 105172229

IUPAC1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
SMILESCCc1nnsc1C(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H18N4S/c1-4-13-16(21-20-19-13)15(17-3)12-7-8-14-11(9-12)6-5-10(2)18-14/h5-9,15,17H,4H2,1-3H3
InChIKeyRHNYYUWKYCUFDR-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine (PubChem CID 105172229) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
PubChem CID105172229
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
SMILESCCc1nnsc1C(NC)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H18N4S/c1-4-13-16(21-20-19-13)15(17-3)12-7-8-14-11(9-12)6-5-10(2)18-14/h5-9,15,17H,4H2,1-3H3
InChIKeyRHNYYUWKYCUFDR-UHFFFAOYSA-N
XLogP3.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
N-methyl-1-(2-methylquinolin-6-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 105020873
[(2-methylquinolin-6-yl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105327190
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 103406957
N-methyl-1-(2-methylquinolin-6-yl)-1-pyridin-4-ylmethanamine
CID 81220925
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105144492
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105143327
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105379120
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine (CID 105172229) is 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine is CCc1nnsc1C(NC)c1ccc2nc(C)ccc2c1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
The InChIKey is RHNYYUWKYCUFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-4-13-16(21-20-19-13)15(17-3)12-7-8-14-11(9-12)6-5-10(2)18-14/h5-9,15,17H,4H2,1-3H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine has a molecular weight of 298.42 g/mol, XLogP of 3.27, 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-(2-methylquinolin-6-yl)methanamine is sourced from PubChem (CID 105172229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).