1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine

C18H20N2S — CID 43314691

IUPAC1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H20N2S/c1-3-13-8-10-14(11-9-13)12-16(19-2)18-20-15-6-4-5-7-17(15)21-18/h4-11,16,19H,3,12H2,1-2H3
InChIKeyGBESUEBTMKVGCF-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.36
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine

1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine (PubChem CID 43314691) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
PubChem CID43314691
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2nc3ccccc3s2)cc1
InChIInChI=1S/C18H20N2S/c1-3-13-8-10-14(11-9-13)12-16(19-2)18-20-15-6-4-5-7-17(15)21-18/h4-11,16,19H,3,12H2,1-2H3
InChIKeyGBESUEBTMKVGCF-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 105407858
1-(1,3-benzothiazol-2-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 115990314
1-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 43314686
1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115380744
1-(1,3-benzothiazol-2-yl)-N-methyl-2-(3-methylimidazol-4-yl)ethanamine
CID 66118071
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 43314737
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43314741
2-[(4-ethylphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole
CID 3458423
1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43314747
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine
CID 43314724
3-[[1-(1,3-benzothiazol-2-yl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid
CID 122016727

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine (CID 43314691) is 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(CC(NC)c2nc3ccccc3s2)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is GBESUEBTMKVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-13-8-10-14(11-9-13)12-16(19-2)18-20-15-6-4-5-7-17(15)21-18/h4-11,16,19H,3,12H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.36, 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)-2-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 43314691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).