7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide

C14H12N4S — CID 146170553

IUPAC7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cccc(-c3cccc(N)n3)c2s1
InChIInChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17)
InChIKeyWHHUOSQZAXTKQL-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.83
Rot. Bonds2

About 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide

7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide (PubChem CID 146170553) has the molecular formula C14H12N4S and a molecular weight of 268.34 g/mol. Its IUPAC name is 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide
PubChem CID146170553
Molecular FormulaC14H12N4S
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Name7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cccc(-c3cccc(N)n3)c2s1
InChIInChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17)
InChIKeyWHHUOSQZAXTKQL-UHFFFAOYSA-N
XLogP2.83
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide?
The IUPAC name of 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide (CID 146170553) is 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2cccc(-c3cccc(N)n3)c2s1.
What is the InChIKey of 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide?
The InChIKey is WHHUOSQZAXTKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17).
What are the key properties of 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide?
7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide has a molecular weight of 268.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-amino-2-pyridinyl)-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 146170553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).