1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine

C18H20N2S — CID 43314741

IUPAC1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1nc2ccccc2s1
InChIInChI=1S/C18H20N2S/c1-3-19-16(12-14-9-5-4-8-13(14)2)18-20-15-10-6-7-11-17(15)21-18/h4-11,16,19H,3,12H2,1-2H3
InChIKeyHXGHQJUERSQXES-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.50
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine

1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine (PubChem CID 43314741) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
PubChem CID43314741
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1nc2ccccc2s1
InChIInChI=1S/C18H20N2S/c1-3-19-16(12-14-9-5-4-8-13(14)2)18-20-15-10-6-7-11-17(15)21-18/h4-11,16,19H,3,12H2,1-2H3
InChIKeyHXGHQJUERSQXES-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

1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43314747
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104770852
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 43314737
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine
CID 43314724
2-(1,3-benzothiazol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 104572950
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 43314691
2-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103402602
2-(1,3-benzothiazol-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 79977130
1-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 43314686
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine (CID 43314741) is 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is HXGHQJUERSQXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-19-16(12-14-9-5-4-8-13(14)2)18-20-15-10-6-7-11-17(15)21-18/h4-11,16,19H,3,12H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine?
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine 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 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43314741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).