2-(1,3-benzothiazol-7-yloxy)ethanamine

C9H10N2OS — CID 84665566

IUPAC2-(1,3-benzothiazol-7-yloxy)ethanamine
SMILESNCCOc1cccc2ncsc12
InChIInChI=1S/C9H10N2OS/c10-4-5-12-8-3-1-2-7-9(8)13-6-11-7/h1-3,6H,4-5,10H2
InChIKeyXACLGYQJQCCRRZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.63
Rot. Bonds3

About 2-(1,3-benzothiazol-7-yloxy)ethanamine

2-(1,3-benzothiazol-7-yloxy)ethanamine (PubChem CID 84665566) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-7-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-7-yloxy)ethanamine
PubChem CID84665566
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-(1,3-benzothiazol-7-yloxy)ethanamine
SMILESNCCOc1cccc2ncsc12
InChIInChI=1S/C9H10N2OS/c10-4-5-12-8-3-1-2-7-9(8)13-6-11-7/h1-3,6H,4-5,10H2
InChIKeyXACLGYQJQCCRRZ-UHFFFAOYSA-N
XLogP1.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethoxy-1,3-benzothiazole
CID 18461248
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
2-(3-methylbenzimidazol-4-yl)oxyethanamine
CID 84663319
7-(chloromethyl)-1,3-benzothiazole
CID 14096730
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
2-quinolin-8-yloxyethanamine
CID 17174906
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
N,N-dichloro-1,3-benzothiazol-7-amine
CID 19971386
methyl 2-(1,3-benzothiazol-7-yl)acetate
CID 162379786
2-quinolin-2-yloxyethanamine
CID 62348403
7-(1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 90901282

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-7-yloxy)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-7-yloxy)ethanamine (CID 84665566) is 2-(1,3-benzothiazol-7-yloxy)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-7-yloxy)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-7-yloxy)ethanamine is NCCOc1cccc2ncsc12.
What is the InChIKey of 2-(1,3-benzothiazol-7-yloxy)ethanamine?
The InChIKey is XACLGYQJQCCRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-4-5-12-8-3-1-2-7-9(8)13-6-11-7/h1-3,6H,4-5,10H2.
What are the key properties of 2-(1,3-benzothiazol-7-yloxy)ethanamine?
2-(1,3-benzothiazol-7-yloxy)ethanamine has a molecular weight of 194.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-7-yloxy)ethanamine is sourced from PubChem (CID 84665566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).