2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine

C17H18N2OS — CID 106791130

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C17H18N2OS/c1-11-7-8-12(15(9-11)20-2)13(18)10-17-19-14-5-3-4-6-16(14)21-17/h3-9,13H,10,18H2,1-2H3
InChIKeyJLNXTENXTAOWKA-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.86
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine

2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106791130) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106791130
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C17H18N2OS/c1-11-7-8-12(15(9-11)20-2)13(18)10-17-19-14-5-3-4-6-16(14)21-17/h3-9,13H,10,18H2,1-2H3
InChIKeyJLNXTENXTAOWKA-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-2-(4-bromo-2-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 115370364
2-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 66460253
2-(1,3-benzothiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 79754913
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 105325149
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105325075
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)methanamine
CID 43407746
[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105325082
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 43118621
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106791130) is 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine is COc1cc(C)ccc1C(N)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is JLNXTENXTAOWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-7-8-12(15(9-11)20-2)13(18)10-17-19-14-5-3-4-6-16(14)21-17/h3-9,13H,10,18H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106791130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).