3-amino-2-ethyl-1-benzothiophen-6-ol

C10H11NOS — CID 131055002

IUPAC3-amino-2-ethyl-1-benzothiophen-6-ol
SMILESCCc1sc2cc(O)ccc2c1N
InChIInChI=1S/C10H11NOS/c1-2-8-10(11)7-4-3-6(12)5-9(7)13-8/h3-5,12H,2,11H2,1H3
InChIKeyMZCKZWHBQSESKX-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.75
Rot. Bonds1

About 3-amino-2-ethyl-1-benzothiophen-6-ol

3-amino-2-ethyl-1-benzothiophen-6-ol (PubChem CID 131055002) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-amino-2-ethyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name3-amino-2-ethyl-1-benzothiophen-6-ol
PubChem CID131055002
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3-amino-2-ethyl-1-benzothiophen-6-ol
SMILESCCc1sc2cc(O)ccc2c1N
InChIInChI=1S/C10H11NOS/c1-2-8-10(11)7-4-3-6(12)5-9(7)13-8/h3-5,12H,2,11H2,1H3
InChIKeyMZCKZWHBQSESKX-UHFFFAOYSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-ethyl-1-benzothiophen-6-ol 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 3-amino-2-ethyl-1-benzothiophen-6-ol?
The IUPAC name of 3-amino-2-ethyl-1-benzothiophen-6-ol (CID 131055002) is 3-amino-2-ethyl-1-benzothiophen-6-ol.
What is the SMILES notation for 3-amino-2-ethyl-1-benzothiophen-6-ol?
The canonical SMILES for 3-amino-2-ethyl-1-benzothiophen-6-ol is CCc1sc2cc(O)ccc2c1N.
What is the InChIKey of 3-amino-2-ethyl-1-benzothiophen-6-ol?
The InChIKey is MZCKZWHBQSESKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-8-10(11)7-4-3-6(12)5-9(7)13-8/h3-5,12H,2,11H2,1H3.
What are the key properties of 3-amino-2-ethyl-1-benzothiophen-6-ol?
3-amino-2-ethyl-1-benzothiophen-6-ol has a molecular weight of 193.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-1-benzothiophen-6-ol is sourced from PubChem (CID 131055002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).