1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine

C16H17N3S — CID 63090006

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCc1csc(C(C)NCc2cccc3cccnc23)n1
InChIInChI=1S/C16H17N3S/c1-11-10-20-16(19-11)12(2)18-9-14-6-3-5-13-7-4-8-17-15(13)14/h3-8,10,12,18H,9H2,1-2H3
InChIKeyHOOSLBAJIFWONN-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine

1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 63090006) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID63090006
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCc1csc(C(C)NCc2cccc3cccnc23)n1
InChIInChI=1S/C16H17N3S/c1-11-10-20-16(19-11)12(2)18-9-14-6-3-5-13-7-4-8-17-15(13)14/h3-8,10,12,18H,9H2,1-2H3
InChIKeyHOOSLBAJIFWONN-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63719201
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 102612589
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
(1S)-1-(3-chlorophenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 28649781
1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
CID 107859459
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091931
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
[(1S)-2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 2-quinolin-8-ylacetate
CID 97073663
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine (CID 63090006) is 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine is Cc1csc(C(C)NCc2cccc3cccnc23)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is HOOSLBAJIFWONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-10-20-16(19-11)12(2)18-9-14-6-3-5-13-7-4-8-17-15(13)14/h3-8,10,12,18H,9H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 63090006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).