5-amino-4-phenyl-3H-1,3-thiazol-2-one

C9H8N2OS — CID 69333653

IUPAC5-amino-4-phenyl-3H-1,3-thiazol-2-one
SMILESNc1sc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C9H8N2OS/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12)
InChIKeyZLHSQPHRHIPZDC-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.69
Rot. Bonds1

About 5-amino-4-phenyl-3H-1,3-thiazol-2-one

5-amino-4-phenyl-3H-1,3-thiazol-2-one (PubChem CID 69333653) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-amino-4-phenyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-amino-4-phenyl-3H-1,3-thiazol-2-one
PubChem CID69333653
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-amino-4-phenyl-3H-1,3-thiazol-2-one
SMILESNc1sc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C9H8N2OS/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12)
InChIKeyZLHSQPHRHIPZDC-UHFFFAOYSA-N
XLogP1.69
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-phenyl-3H-1,3-thiazol-2-one 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-amino-4-phenyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-amino-4-phenyl-3H-1,3-thiazol-2-one (CID 69333653) is 5-amino-4-phenyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-amino-4-phenyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-amino-4-phenyl-3H-1,3-thiazol-2-one is Nc1sc(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 5-amino-4-phenyl-3H-1,3-thiazol-2-one?
The InChIKey is ZLHSQPHRHIPZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12).
What are the key properties of 5-amino-4-phenyl-3H-1,3-thiazol-2-one?
5-amino-4-phenyl-3H-1,3-thiazol-2-one has a molecular weight of 192.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-phenyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 69333653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).