3-amino-1-benzothiophene-2-carboximidamide

C9H9N3S — CID 19007369

IUPAC3-amino-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1sc2ccccc2c1N
InChIInChI=1S/C9H9N3S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H3,11,12)
InChIKeyLEUKOQKTSDTDHH-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.77
Rot. Bonds1

About 3-amino-1-benzothiophene-2-carboximidamide

3-amino-1-benzothiophene-2-carboximidamide (PubChem CID 19007369) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-amino-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name3-amino-1-benzothiophene-2-carboximidamide
PubChem CID19007369
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name3-amino-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1sc2ccccc2c1N
InChIInChI=1S/C9H9N3S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H3,11,12)
InChIKeyLEUKOQKTSDTDHH-UHFFFAOYSA-N
XLogP1.77
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
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 3-amino-1-benzothiophene-2-carboximidamide?
The IUPAC name of 3-amino-1-benzothiophene-2-carboximidamide (CID 19007369) is 3-amino-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 3-amino-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 3-amino-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-1-benzothiophene-2-carboximidamide?
The InChIKey is LEUKOQKTSDTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H3,11,12).
What are the key properties of 3-amino-1-benzothiophene-2-carboximidamide?
3-amino-1-benzothiophene-2-carboximidamide has a molecular weight of 191.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 19007369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).