2-thiophen-2-yl-1,3-benzoxazol-5-amine

C11H8N2OS — CID 653654

IUPAC2-thiophen-2-yl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3cccs3)nc2c1
InChIInChI=1S/C11H8N2OS/c12-7-3-4-9-8(6-7)13-11(14-9)10-2-1-5-15-10/h1-6H,12H2
InChIKeyZRSQBVAYYVOKFY-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.14
Rot. Bonds1

About 2-thiophen-2-yl-1,3-benzoxazol-5-amine

2-thiophen-2-yl-1,3-benzoxazol-5-amine (PubChem CID 653654) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-benzoxazol-5-amine
PubChem CID653654
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name2-thiophen-2-yl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3cccs3)nc2c1
InChIInChI=1S/C11H8N2OS/c12-7-3-4-9-8(6-7)13-11(14-9)10-2-1-5-15-10/h1-6H,12H2
InChIKeyZRSQBVAYYVOKFY-UHFFFAOYSA-N
XLogP3.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-thiophen-2-yl-1,3-benzoxazol-5-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 2-thiophen-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-thiophen-2-yl-1,3-benzoxazol-5-amine (CID 653654) is 2-thiophen-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-thiophen-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-thiophen-2-yl-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3cccs3)nc2c1.
What is the InChIKey of 2-thiophen-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is ZRSQBVAYYVOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c12-7-3-4-9-8(6-7)13-11(14-9)10-2-1-5-15-10/h1-6H,12H2.
What are the key properties of 2-thiophen-2-yl-1,3-benzoxazol-5-amine?
2-thiophen-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 216.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 653654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).