2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C12H20N2O2S — CID 102928748

IUPAC2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCOCCOCCc1nc2c(s1)C(N)CCC2
InChIInChI=1S/C12H20N2O2S/c1-15-7-8-16-6-5-11-14-10-4-2-3-9(13)12(10)17-11/h9H,2-8,13H2,1H3
InChIKeyRJQATNYAGDMBKO-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.68
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 102928748) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID102928748
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCOCCOCCc1nc2c(s1)C(N)CCC2
InChIInChI=1S/C12H20N2O2S/c1-15-7-8-16-6-5-11-14-10-4-2-3-9(13)12(10)17-11/h9H,2-8,13H2,1H3
InChIKeyRJQATNYAGDMBKO-UHFFFAOYSA-N
XLogP1.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 102928748) is 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is COCCOCCc1nc2c(s1)C(N)CCC2.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is RJQATNYAGDMBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-15-7-8-16-6-5-11-14-10-4-2-3-9(13)12(10)17-11/h9H,2-8,13H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 256.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 102928748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).