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

C9H10N2S — CID 67305193

IUPAC1-(1,3-benzothiazol-6-yl)ethanamine
SMILESCC(N)c1ccc2ncsc2c1
InChIInChI=1S/C9H10N2S/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-6H,10H2,1H3
InChIKeyZOWXJJFJILFTCE-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.32
Rot. Bonds1

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

1-(1,3-benzothiazol-6-yl)ethanamine (PubChem CID 67305193) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)ethanamine
PubChem CID67305193
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1-(1,3-benzothiazol-6-yl)ethanamine
SMILESCC(N)c1ccc2ncsc2c1
InChIInChI=1S/C9H10N2S/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-6H,10H2,1H3
InChIKeyZOWXJJFJILFTCE-UHFFFAOYSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)ethanamine (CID 67305193) is 1-(1,3-benzothiazol-6-yl)ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)ethanamine is CC(N)c1ccc2ncsc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)ethanamine?
The InChIKey is ZOWXJJFJILFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-6H,10H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-6-yl)ethanamine?
1-(1,3-benzothiazol-6-yl)ethanamine has a molecular weight of 178.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)ethanamine is sourced from PubChem (CID 67305193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).