6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine

C11H15N3S — CID 116999742

IUPAC6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
SMILESCCNCCc1ccc2nc(N)sc2c1
InChIInChI=1S/C11H15N3S/c1-2-13-6-5-8-3-4-9-10(7-8)15-11(12)14-9/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14)
InChIKeyUFUGJDZZKJWIGX-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.03
Rot. Bonds4

About 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine

6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 116999742) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
PubChem CID116999742
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
SMILESCCNCCc1ccc2nc(N)sc2c1
InChIInChI=1S/C11H15N3S/c1-2-13-6-5-8-3-4-9-10(7-8)15-11(12)14-9/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14)
InChIKeyUFUGJDZZKJWIGX-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
N-ethyl-2-(2-methyl-1,3-benzothiazol-6-yl)ethanamine
CID 116999819
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963
6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
CID 106012038
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
5-(2-amino-1,3-benzothiazol-6-yl)pentan-2-one
CID 116999772
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
6-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 102913455
6-[(5-methylhexylamino)methyl]-1,3-benzothiazol-2-amine
CID 115325959
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348987

Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine (CID 116999742) is 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine is CCNCCc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is UFUGJDZZKJWIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-13-6-5-8-3-4-9-10(7-8)15-11(12)14-9/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14).
What are the key properties of 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine?
6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 116999742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).