2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine

C10H12N2OS — CID 39106649

IUPAC2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESCOc1ccc2nc(CCN)sc2c1
InChIInChI=1S/C10H12N2OS/c1-13-7-2-3-8-9(6-7)14-10(12-8)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyKHQLERRKWMBCAV-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.81
Rot. Bonds3

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

2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 39106649) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
PubChem CID39106649
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESCOc1ccc2nc(CCN)sc2c1
InChIInChI=1S/C10H12N2OS/c1-13-7-2-3-8-9(6-7)14-10(12-8)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyKHQLERRKWMBCAV-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
CID 79512407
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)propanoate
CID 146663754
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106719
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
CID 158604119
CID 158604119
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39107200
6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 79511835

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine (CID 39106649) is 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine is COc1ccc2nc(CCN)sc2c1.
What is the InChIKey of 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is KHQLERRKWMBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-13-7-2-3-8-9(6-7)14-10(12-8)4-5-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 39106649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).