3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide

C16H14N4S — CID 3010588

IUPAC3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2csc3ccc(/C(N)=N/[H])cc23)cc1
InChIInChI=1S/C16H14N4S/c17-15(18)10-3-1-9(2-4-10)13-8-21-14-6-5-11(16(19)20)7-12(13)14/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyVMWWDHLPNAKRQW-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.14
Rot. Bonds3

About 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide

3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide (PubChem CID 3010588) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide.

Molecular Properties

Compound Name3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide
PubChem CID3010588
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2csc3ccc(/C(N)=N/[H])cc23)cc1
InChIInChI=1S/C16H14N4S/c17-15(18)10-3-1-9(2-4-10)13-8-21-14-6-5-11(16(19)20)7-12(13)14/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyVMWWDHLPNAKRQW-UHFFFAOYSA-N
XLogP3.14
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide?
The IUPAC name of 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide (CID 3010588) is 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide.
What is the SMILES notation for 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide?
The canonical SMILES for 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide is [H]/N=C(\N)c1ccc(-c2csc3ccc(/C(N)=N/[H])cc23)cc1.
What is the InChIKey of 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide?
The InChIKey is VMWWDHLPNAKRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c17-15(18)10-3-1-9(2-4-10)13-8-21-14-6-5-11(16(19)20)7-12(13)14/h1-8H,(H3,17,18)(H3,19,20).
What are the key properties of 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide?
3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide has a molecular weight of 294.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamimidoylphenyl)-1-benzothiophene-5-carboximidamide is sourced from PubChem (CID 3010588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).