1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine

C17H19N3S — CID 105379120

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
SMILESCNC(c1ccc2nc(C)ccc2c1)c1nc(C)c(C)s1
InChIInChI=1S/C17H19N3S/c1-10-5-6-13-9-14(7-8-15(13)19-10)16(18-4)17-20-11(2)12(3)21-17/h5-9,16,18H,1-4H3
InChIKeyOASURVWILXKSLC-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.93
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine (PubChem CID 105379120) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
PubChem CID105379120
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
SMILESCNC(c1ccc2nc(C)ccc2c1)c1nc(C)c(C)s1
InChIInChI=1S/C17H19N3S/c1-10-5-6-13-9-14(7-8-15(13)19-10)16(18-4)17-20-11(2)12(3)21-17/h5-9,16,18H,1-4H3
InChIKeyOASURVWILXKSLC-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylquinolin-6-yl)-1-pyridin-4-ylmethanamine
CID 81220925
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
N-methyl-1-(2-methylquinolin-6-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 105020873
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 103406957
1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332321
N-methyl-1-(2-methylquinolin-6-yl)-1-pyridazin-4-ylmethanamine
CID 105172295
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63970196
[(2-methylquinolin-6-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105327200
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 61332716
[(2-methylquinolin-6-yl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105327190

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine (CID 105379120) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine is CNC(c1ccc2nc(C)ccc2c1)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
The InChIKey is OASURVWILXKSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-10-5-6-13-9-14(7-8-15(13)19-10)16(18-4)17-20-11(2)12(3)21-17/h5-9,16,18H,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine has a molecular weight of 297.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine is sourced from PubChem (CID 105379120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).