2-(1,2-benzothiazol-5-yl)ethanamine

C9H10N2S — CID 82599946

IUPAC2-(1,2-benzothiazol-5-yl)ethanamine
SMILESNCCc1ccc2sncc2c1
InChIInChI=1S/C9H10N2S/c10-4-3-7-1-2-9-8(5-7)6-11-12-9/h1-2,5-6H,3-4,10H2
InChIKeyZCJVCLNYGRFEKW-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.80
Rot. Bonds2

About 2-(1,2-benzothiazol-5-yl)ethanamine

2-(1,2-benzothiazol-5-yl)ethanamine (PubChem CID 82599946) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-benzothiazol-5-yl)ethanamine
PubChem CID82599946
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-(1,2-benzothiazol-5-yl)ethanamine
SMILESNCCc1ccc2sncc2c1
InChIInChI=1S/C9H10N2S/c10-4-3-7-1-2-9-8(5-7)6-11-12-9/h1-2,5-6H,3-4,10H2
InChIKeyZCJVCLNYGRFEKW-UHFFFAOYSA-N
XLogP1.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-1,2-benzothiazole
CID 121231926
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
2-(4-ethylisoquinolin-7-yl)ethanamine
CID 117289480
6-ethyl-1,2-benzothiazole
CID 70295455
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
6-ethyl-1,2-benzothiazole;propane
CID 142320291
2-(2,1-benzoxazol-6-yl)ethanamine
CID 84764513
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117308135
N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine
CID 131845316

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-5-yl)ethanamine?
The IUPAC name of 2-(1,2-benzothiazol-5-yl)ethanamine (CID 82599946) is 2-(1,2-benzothiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,2-benzothiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1,2-benzothiazol-5-yl)ethanamine is NCCc1ccc2sncc2c1.
What is the InChIKey of 2-(1,2-benzothiazol-5-yl)ethanamine?
The InChIKey is ZCJVCLNYGRFEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c10-4-3-7-1-2-9-8(5-7)6-11-12-9/h1-2,5-6H,3-4,10H2.
What are the key properties of 2-(1,2-benzothiazol-5-yl)ethanamine?
2-(1,2-benzothiazol-5-yl)ethanamine has a molecular weight of 178.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-5-yl)ethanamine is sourced from PubChem (CID 82599946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).