5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine

C15H12N4OS — CID 170148093

IUPAC5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine
SMILESCc1cc(-c2n[nH]nc2N)sc1-c1ccc2occc2c1
InChIInChI=1S/C15H12N4OS/c1-8-6-12(13-15(16)18-19-17-13)21-14(8)10-2-3-11-9(7-10)4-5-20-11/h2-7H,1H3,(H3,16,17,18,19)
InChIKeyVSUXQVTWEAJKJY-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.84
Rot. Bonds2

About 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine

5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine (PubChem CID 170148093) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine
PubChem CID170148093
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine
SMILESCc1cc(-c2n[nH]nc2N)sc1-c1ccc2occc2c1
InChIInChI=1S/C15H12N4OS/c1-8-6-12(13-15(16)18-19-17-13)21-14(8)10-2-3-11-9(7-10)4-5-20-11/h2-7H,1H3,(H3,16,17,18,19)
InChIKeyVSUXQVTWEAJKJY-UHFFFAOYSA-N
XLogP3.84
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine 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-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine?
The IUPAC name of 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine (CID 170148093) is 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine?
The canonical SMILES for 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine is Cc1cc(-c2n[nH]nc2N)sc1-c1ccc2occc2c1.
What is the InChIKey of 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine?
The InChIKey is VSUXQVTWEAJKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-8-6-12(13-15(16)18-19-17-13)21-14(8)10-2-3-11-9(7-10)4-5-20-11/h2-7H,1H3,(H3,16,17,18,19).
What are the key properties of 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine?
5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine has a molecular weight of 296.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-benzofuran-5-yl)-4-methylthiophen-2-yl]-2H-triazol-4-amine is sourced from PubChem (CID 170148093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).