1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine

C17H19N3S — CID 63851225

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2ccnc3ccccc23)s1
InChIInChI=1S/C17H19N3S/c1-11(17-12(2)20-13(3)21-17)19-10-14-8-9-18-16-7-5-4-6-15(14)16/h4-9,11,19H,10H2,1-3H3
InChIKeyMCXASXDEEIUZBI-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 63851225) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine
PubChem CID63851225
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2ccnc3ccccc23)s1
InChIInChI=1S/C17H19N3S/c1-11(17-12(2)20-13(3)21-17)19-10-14-8-9-18-16-7-5-4-6-15(14)16/h4-9,11,19H,10H2,1-3H3
InChIKeyMCXASXDEEIUZBI-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 80701216
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550
3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895913
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81369406
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788
N-[(2-chloro-3-fluorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 112651900
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine (CID 63851225) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine is Cc1nc(C)c(C(C)NCc2ccnc3ccccc23)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is MCXASXDEEIUZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11(17-12(2)20-13(3)21-17)19-10-14-8-9-18-16-7-5-4-6-15(14)16/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 297.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 63851225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).