N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C17H19N3S — CID 105172283

IUPACN-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2nc(C)ccc2c1)c1scnc1C
InChIInChI=1S/C17H19N3S/c1-4-18-16(17-12(3)19-10-21-17)14-7-8-15-13(9-14)6-5-11(2)20-15/h5-10,16,18H,4H2,1-3H3
InChIKeyYJAMJFHSIVHTRO-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.01
Rot. Bonds4

About N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 105172283) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID105172283
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc2nc(C)ccc2c1)c1scnc1C
InChIInChI=1S/C17H19N3S/c1-4-18-16(17-12(3)19-10-21-17)14-7-8-15-13(9-14)6-5-11(2)20-15/h5-10,16,18H,4H2,1-3H3
InChIKeyYJAMJFHSIVHTRO-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140832
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105189609
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
CID 116714645
N-methyl-1-(2-methylquinolin-6-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 105020873
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
[(2-methylquinolin-6-yl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105327190
methyl 2-(ethylamino)-2-(2-methylquinolin-6-yl)acetate
CID 105378902
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 105172283) is N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNC(c1ccc2nc(C)ccc2c1)c1scnc1C.
What is the InChIKey of N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is YJAMJFHSIVHTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-4-18-16(17-12(3)19-10-21-17)14-7-8-15-13(9-14)6-5-11(2)20-15/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 297.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105172283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).