4-pyridin-3-yl-1-benzothiophene-2-carboximidamide

C14H11N3S — CID 15230355

IUPAC4-pyridin-3-yl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(-c3cccnc3)cccc2s1
InChIInChI=1S/C14H11N3S/c15-14(16)13-7-11-10(4-1-5-12(11)18-13)9-3-2-6-17-8-9/h1-8H,(H3,15,16)
InChIKeyHRPZVQXDCNXEMD-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.25
Rot. Bonds2

About 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide

4-pyridin-3-yl-1-benzothiophene-2-carboximidamide (PubChem CID 15230355) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name4-pyridin-3-yl-1-benzothiophene-2-carboximidamide
PubChem CID15230355
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name4-pyridin-3-yl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(-c3cccnc3)cccc2s1
InChIInChI=1S/C14H11N3S/c15-14(16)13-7-11-10(4-1-5-12(11)18-13)9-3-2-6-17-8-9/h1-8H,(H3,15,16)
InChIKeyHRPZVQXDCNXEMD-UHFFFAOYSA-N
XLogP3.25
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.25
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 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide?
The IUPAC name of 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide (CID 15230355) is 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2c(-c3cccnc3)cccc2s1.
What is the InChIKey of 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide?
The InChIKey is HRPZVQXDCNXEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c15-14(16)13-7-11-10(4-1-5-12(11)18-13)9-3-2-6-17-8-9/h1-8H,(H3,15,16).
What are the key properties of 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide?
4-pyridin-3-yl-1-benzothiophene-2-carboximidamide has a molecular weight of 253.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 15230355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).