2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine

C10H11ClN2OS — CID 39107200

IUPAC2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESCOc1cc2sc(CCN)nc2cc1Cl
InChIInChI=1S/C10H11ClN2OS/c1-14-8-5-9-7(4-6(8)11)13-10(15-9)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyXIQPHIBWOXRONA-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.46
Rot. Bonds3

About 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine

2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 39107200) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine
PubChem CID39107200
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESCOc1cc2sc(CCN)nc2cc1Cl
InChIInChI=1S/C10H11ClN2OS/c1-14-8-5-9-7(4-6(8)11)13-10(15-9)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyXIQPHIBWOXRONA-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine (CID 39107200) is 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine is COc1cc2sc(CCN)nc2cc1Cl.
What is the InChIKey of 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is XIQPHIBWOXRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-14-8-5-9-7(4-6(8)11)13-10(15-9)2-3-12/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine?
2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 242.73 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 39107200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).