5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide

C18H16N2S2 — CID 18537312

IUPAC5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cccc(-c3ccccc3)c2)c(SC)s1
InChIInChI=1S/C18H16N2S2/c1-21-18-15(11-16(22-18)17(19)20)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3,(H3,19,20)
InChIKeyCABMYWJUHPNDIO-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.09
Rot. Bonds4

About 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide

5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide (PubChem CID 18537312) has the molecular formula C18H16N2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide
PubChem CID18537312
Molecular FormulaC18H16N2S2
Molecular Weight324.47 g/mol
Exact Mass324.08
IUPAC Name5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cccc(-c3ccccc3)c2)c(SC)s1
InChIInChI=1S/C18H16N2S2/c1-21-18-15(11-16(22-18)17(19)20)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3,(H3,19,20)
InChIKeyCABMYWJUHPNDIO-UHFFFAOYSA-N
XLogP5.09
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.09
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'}

Analyze 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-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 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide?
The IUPAC name of 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide (CID 18537312) is 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide?
The canonical SMILES for 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2cccc(-c3ccccc3)c2)c(SC)s1.
What is the InChIKey of 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide?
The InChIKey is CABMYWJUHPNDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S2/c1-21-18-15(11-16(22-18)17(19)20)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3,(H3,19,20).
What are the key properties of 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide?
5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide has a molecular weight of 324.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(3-phenylphenyl)thiophene-2-carboximidamide is sourced from PubChem (CID 18537312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).