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

C10H12N2S — CID 83878228

IUPAC2-(2,1-benzothiazol-3-yl)-N-methylethanamine
SMILESCNCCc1snc2ccccc12
InChIInChI=1S/C10H12N2S/c1-11-7-6-10-8-4-2-3-5-9(8)12-13-10/h2-5,11H,6-7H2,1H3
InChIKeyIYGTURCFYYOECE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.06
Rot. Bonds3

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

2-(2,1-benzothiazol-3-yl)-N-methylethanamine (PubChem CID 83878228) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-(2,1-benzothiazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,1-benzothiazol-3-yl)-N-methylethanamine
PubChem CID83878228
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-(2,1-benzothiazol-3-yl)-N-methylethanamine
SMILESCNCCc1snc2ccccc12
InChIInChI=1S/C10H12N2S/c1-11-7-6-10-8-4-2-3-5-9(8)12-13-10/h2-5,11H,6-7H2,1H3
InChIKeyIYGTURCFYYOECE-UHFFFAOYSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,1-benzothiazol-3-ylmethanol
CID 83678766
1-(2,1-benzothiazol-3-yl)propan-2-amine
CID 66354687
N-(3,3-dimethylbutyl)-2,1-benzothiazol-3-amine
CID 115613150
1-(2,1-benzothiazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 66355964
1-(2,1-benzothiazol-3-yl)-N-ethylbutan-2-amine
CID 66355751
N-(2-chloroethyl)-2,1-benzothiazol-3-amine
CID 66354488
2-(2,1-benzothiazol-3-ylamino)-N-methylethanesulfonamide
CID 106337620
N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine
CID 66356565
N'-(2,1-benzothiazol-3-yl)propane-1,3-diamine
CID 66356346
2-[2-(methylamino)ethyl]-1-benzothiophen-3-ol
CID 112546011
N-[2-(4-methylcyclohexyl)ethyl]-2,1-benzothiazol-3-amine
CID 66353612
2-(4-chloroquinazolin-2-yl)-N-methylethanamine
CID 105478665

Frequently Asked Questions

What is the IUPAC name of 2-(2,1-benzothiazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2,1-benzothiazol-3-yl)-N-methylethanamine (CID 83878228) is 2-(2,1-benzothiazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,1-benzothiazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,1-benzothiazol-3-yl)-N-methylethanamine is CNCCc1snc2ccccc12.
What is the InChIKey of 2-(2,1-benzothiazol-3-yl)-N-methylethanamine?
The InChIKey is IYGTURCFYYOECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-11-7-6-10-8-4-2-3-5-9(8)12-13-10/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(2,1-benzothiazol-3-yl)-N-methylethanamine?
2-(2,1-benzothiazol-3-yl)-N-methylethanamine has a molecular weight of 192.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1-benzothiazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 83878228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).