N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine

C16H17N3S — CID 81232102

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
SMILESCNC(Cc1csc(C)n1)c1cccc2ncccc12
InChIInChI=1S/C16H17N3S/c1-11-19-12(10-20-11)9-16(17-2)14-5-3-7-15-13(14)6-4-8-18-15/h3-8,10,16-17H,9H2,1-2H3
InChIKeyZFMQWZIZSAEQKW-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine (PubChem CID 81232102) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
PubChem CID81232102
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
SMILESCNC(Cc1csc(C)n1)c1cccc2ncccc12
InChIInChI=1S/C16H17N3S/c1-11-19-12(10-20-11)9-16(17-2)14-5-3-7-15-13(14)6-4-8-18-15/h3-8,10,16-17H,9H2,1-2H3
InChIKeyZFMQWZIZSAEQKW-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81209499
N-methyl-2-(2-methylphenyl)-1-quinolin-5-ylethanamine
CID 81227621
1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997166
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
CID 107357241
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
[1-(2-methylquinolin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316184
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-5-ylmethanamine
CID 105155662
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
1-(2,3-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159055

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine (CID 81232102) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine is CNC(Cc1csc(C)n1)c1cccc2ncccc12.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine?
The InChIKey is ZFMQWZIZSAEQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-19-12(10-20-11)9-16(17-2)14-5-3-7-15-13(14)6-4-8-18-15/h3-8,10,16-17H,9H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine is sourced from PubChem (CID 81232102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).