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

C18H20N2S — CID 62799174

IUPACN-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
SMILESCCNC(Cc1csc(C)n1)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2S/c1-3-19-18(11-17-12-21-13(2)20-17)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,18-19H,3,11H2,1-2H3
InChIKeyXEWFUIXDTKGEQI-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.50
Rot. Bonds5

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

N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine (PubChem CID 62799174) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
PubChem CID62799174
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
SMILESCCNC(Cc1csc(C)n1)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2S/c1-3-19-18(11-17-12-21-13(2)20-17)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,18-19H,3,11H2,1-2H3
InChIKeyXEWFUIXDTKGEQI-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105159159
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
N-ethyl-2-(1-methyltriazol-4-yl)-1-naphthalen-2-ylethanamine
CID 107048978
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62798639
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105159050
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997064
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82729902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine?
The IUPAC name of N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine (CID 62799174) is N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine is CCNC(Cc1csc(C)n1)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine?
The InChIKey is XEWFUIXDTKGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-19-18(11-17-12-21-13(2)20-17)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12,18-19H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine?
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 62799174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).