1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine

C17H19N3S — CID 63970196

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCCc1nc(C(NC)c2ccc3ncccc3c2)sc1C
InChIInChI=1S/C17H19N3S/c1-4-14-11(2)21-17(20-14)16(18-3)13-7-8-15-12(10-13)6-5-9-19-15/h5-10,16,18H,4H2,1-3H3
InChIKeyZHYRVIIOEKBKCT-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 63970196) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID63970196
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCCc1nc(C(NC)c2ccc3ncccc3c2)sc1C
InChIInChI=1S/C17H19N3S/c1-4-14-11(2)21-17(20-14)16(18-3)13-7-8-15-12(10-13)6-5-9-19-15/h5-10,16,18H,4H2,1-3H3
InChIKeyZHYRVIIOEKBKCT-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 61332131
1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106818049
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 61332919
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63077170
1-(3,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106531760
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105379120
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine (CID 63970196) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine is CCc1nc(C(NC)c2ccc3ncccc3c2)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is ZHYRVIIOEKBKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-4-14-11(2)21-17(20-14)16(18-3)13-7-8-15-12(10-13)6-5-9-19-15/h5-10,16,18H,4H2,1-3H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 297.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 63970196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).