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

C15H16N4S — CID 107357241

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
SMILESCNC(Cc1csc(C)n1)c1cnc2ccccc2n1
InChIInChI=1S/C15H16N4S/c1-10-18-11(9-20-10)7-14(16-2)15-8-17-12-5-3-4-6-13(12)19-15/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyVRQPHQHMXXJZII-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.90
Rot. Bonds4

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

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine (PubChem CID 107357241) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
PubChem CID107357241
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
SMILESCNC(Cc1csc(C)n1)c1cnc2ccccc2n1
InChIInChI=1S/C15H16N4S/c1-10-18-11(9-20-10)7-14(16-2)15-8-17-12-5-3-4-6-13(12)19-15/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyVRQPHQHMXXJZII-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357336
N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
CID 81232102
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105158940
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997235
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106848941

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine (CID 107357241) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine is CNC(Cc1csc(C)n1)c1cnc2ccccc2n1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine?
The InChIKey is VRQPHQHMXXJZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-18-11(9-20-10)7-14(16-2)15-8-17-12-5-3-4-6-13(12)19-15/h3-6,8-9,14,16H,7H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine is sourced from PubChem (CID 107357241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).