N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine

C11H14N2S — CID 79143288

IUPACN-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCNCCc1nc2ccc(C)cc2s1
InChIInChI=1S/C11H14N2S/c1-8-3-4-9-10(7-8)14-11(13-9)5-6-12-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyLUCVAYRFQXQYFD-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine

N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 79143288) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
PubChem CID79143288
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCNCCc1nc2ccc(C)cc2s1
InChIInChI=1S/C11H14N2S/c1-8-3-4-9-10(7-8)14-11(13-9)5-6-12-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyLUCVAYRFQXQYFD-UHFFFAOYSA-N
XLogP2.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
(6-methyl-1,3-benzothiazol-2-yl)methanethiol
CID 137419548
N-[2-(6-bromo-1,3-benzothiazol-2-yl)ethyl]-4-methylaniline
CID 79533516
2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 79142285
3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine
CID 79142621
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142765
2-[2-(6-methyl-1,3-benzothiazol-2-yl)ethyl]isoindole-1,3-dione
CID 75465232
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine (CID 79143288) is N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine is CNCCc1nc2ccc(C)cc2s1.
What is the InChIKey of N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is LUCVAYRFQXQYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-3-4-9-10(7-8)14-11(13-9)5-6-12-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine?
N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 206.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 79143288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).