2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine

C16H17N3S — CID 79818452

IUPAC2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1nc2ccccc2s1)c1cc(C)ccn1
InChIInChI=1S/C16H17N3S/c1-11-7-8-18-14(9-11)13(17-2)10-16-19-12-5-3-4-6-15(12)20-16/h3-9,13,17H,10H2,1-2H3
InChIKeyMINSPDDGWNOXSB-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.50
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine

2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine (PubChem CID 79818452) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
PubChem CID79818452
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1nc2ccccc2s1)c1cc(C)ccn1
InChIInChI=1S/C16H17N3S/c1-11-7-8-18-14(9-11)13(17-2)10-16-19-12-5-3-4-6-15(12)20-16/h3-9,13,17H,10H2,1-2H3
InChIKeyMINSPDDGWNOXSB-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 79819181
2-(1,3-benzothiazol-2-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107976569
2-(1,3-benzothiazol-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 80537919
2-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 82871636
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863
[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105325082
2-(3,5-dimethylphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840680
2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804188
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-4-methylphenyl)ethyl]hydrazine
CID 105325075
[2-(1,3-benzothiazol-2-yl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 105325149
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine (CID 79818452) is 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine is CNC(Cc1nc2ccccc2s1)c1cc(C)ccn1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
The InChIKey is MINSPDDGWNOXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-7-8-18-14(9-11)13(17-2)10-16-19-12-5-3-4-6-15(12)20-16/h3-9,13,17H,10H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
2-(1,3-benzothiazol-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.50, 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)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 79818452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).