N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine

C17H19N3S — CID 61064036

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)c2sc(C)nc2C)c2ccccc2n1
InChIInChI=1S/C17H19N3S/c1-10-9-16(14-7-5-6-8-15(14)18-10)20-12(3)17-11(2)19-13(4)21-17/h5-9,12H,1-4H3,(H,18,20)
InChIKeyKWJWQUKUZZZBLN-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.79
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine (PubChem CID 61064036) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
PubChem CID61064036
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)c2sc(C)nc2C)c2ccccc2n1
InChIInChI=1S/C17H19N3S/c1-10-9-16(14-7-5-6-8-15(14)18-10)20-12(3)17-11(2)19-13(4)21-17/h5-9,12H,1-4H3,(H,18,20)
InChIKeyKWJWQUKUZZZBLN-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine
CID 103000741
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylaniline
CID 63752779
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61193660
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methylpyridin-2-amine
CID 61193012
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline
CID 63751891

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine (CID 61064036) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine is Cc1cc(NC(C)c2sc(C)nc2C)c2ccccc2n1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine?
The InChIKey is KWJWQUKUZZZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-10-9-16(14-7-5-6-8-15(14)18-10)20-12(3)17-11(2)19-13(4)21-17/h5-9,12H,1-4H3,(H,18,20).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 61064036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).