7-methoxy-1-benzothiophene-2-carboximidamide

C10H10N2OS — CID 83677734

IUPAC7-methoxy-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cccc(OC)c2s1
InChIInChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12)
InChIKeyZWUNRCDOCDRURS-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.19
Rot. Bonds2

About 7-methoxy-1-benzothiophene-2-carboximidamide

7-methoxy-1-benzothiophene-2-carboximidamide (PubChem CID 83677734) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 7-methoxy-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name7-methoxy-1-benzothiophene-2-carboximidamide
PubChem CID83677734
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name7-methoxy-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cccc(OC)c2s1
InChIInChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12)
InChIKeyZWUNRCDOCDRURS-UHFFFAOYSA-N
XLogP2.19
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-benzothiophene-2-carboximidamide?
The IUPAC name of 7-methoxy-1-benzothiophene-2-carboximidamide (CID 83677734) is 7-methoxy-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 7-methoxy-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 7-methoxy-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2cccc(OC)c2s1.
What is the InChIKey of 7-methoxy-1-benzothiophene-2-carboximidamide?
The InChIKey is ZWUNRCDOCDRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12).
What are the key properties of 7-methoxy-1-benzothiophene-2-carboximidamide?
7-methoxy-1-benzothiophene-2-carboximidamide has a molecular weight of 206.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 83677734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).