4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline

C17H12N2OS — CID 43667812

IUPAC4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C17H12N2OS/c18-13-7-5-11(6-8-13)17-19-14(10-21-17)16-9-12-3-1-2-4-15(12)20-16/h1-10H,18H2
InChIKeyKZIANQSKGBARET-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.81
Rot. Bonds2

About 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline

4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline (PubChem CID 43667812) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
PubChem CID43667812
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1
InChIInChI=1S/C17H12N2OS/c18-13-7-5-11(6-8-13)17-19-14(10-21-17)16-9-12-3-1-2-4-15(12)20-16/h1-10H,18H2
InChIKeyKZIANQSKGBARET-UHFFFAOYSA-N
XLogP4.81
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline 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 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline (CID 43667812) is 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline is Nc1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1.
What is the InChIKey of 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline?
The InChIKey is KZIANQSKGBARET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c18-13-7-5-11(6-8-13)17-19-14(10-21-17)16-9-12-3-1-2-4-15(12)20-16/h1-10H,18H2.
What are the key properties of 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline?
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline has a molecular weight of 292.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 43667812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).