5-methoxy-1-benzothiophen-2-amine

C9H9NOS — CID 67305134

IUPAC5-methoxy-1-benzothiophen-2-amine
SMILESCOc1ccc2sc(N)cc2c1
InChIInChI=1S/C9H9NOS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h2-5H,10H2,1H3
InChIKeySTPFPLZASWBIQN-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.49
Rot. Bonds1

About 5-methoxy-1-benzothiophen-2-amine

5-methoxy-1-benzothiophen-2-amine (PubChem CID 67305134) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-methoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-methoxy-1-benzothiophen-2-amine
PubChem CID67305134
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name5-methoxy-1-benzothiophen-2-amine
SMILESCOc1ccc2sc(N)cc2c1
InChIInChI=1S/C9H9NOS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h2-5H,10H2,1H3
InChIKeySTPFPLZASWBIQN-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-benzothiophen-2-amine?
The IUPAC name of 5-methoxy-1-benzothiophen-2-amine (CID 67305134) is 5-methoxy-1-benzothiophen-2-amine.
What is the SMILES notation for 5-methoxy-1-benzothiophen-2-amine?
The canonical SMILES for 5-methoxy-1-benzothiophen-2-amine is COc1ccc2sc(N)cc2c1.
What is the InChIKey of 5-methoxy-1-benzothiophen-2-amine?
The InChIKey is STPFPLZASWBIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h2-5H,10H2,1H3.
What are the key properties of 5-methoxy-1-benzothiophen-2-amine?
5-methoxy-1-benzothiophen-2-amine has a molecular weight of 179.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 67305134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).