4-(3-aminophenyl)-3H-1,3-thiazol-2-one

C9H8N2OS — CID 39129690

IUPAC4-(3-aminophenyl)-3H-1,3-thiazol-2-one
SMILESNc1cccc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C9H8N2OS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12)
InChIKeyQTOCTAZFHNLTNA-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.69
Rot. Bonds1

About 4-(3-aminophenyl)-3H-1,3-thiazol-2-one

4-(3-aminophenyl)-3H-1,3-thiazol-2-one (PubChem CID 39129690) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-aminophenyl)-3H-1,3-thiazol-2-one
PubChem CID39129690
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-(3-aminophenyl)-3H-1,3-thiazol-2-one
SMILESNc1cccc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C9H8N2OS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12)
InChIKeyQTOCTAZFHNLTNA-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

Computed Properties (RDKit)

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

Analyze 4-(3-aminophenyl)-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 4-(3-aminophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-aminophenyl)-3H-1,3-thiazol-2-one (CID 39129690) is 4-(3-aminophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-aminophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-aminophenyl)-3H-1,3-thiazol-2-one is Nc1cccc(-c2csc(=O)[nH]2)c1.
What is the InChIKey of 4-(3-aminophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is QTOCTAZFHNLTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-7-3-1-2-6(4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12).
What are the key properties of 4-(3-aminophenyl)-3H-1,3-thiazol-2-one?
4-(3-aminophenyl)-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 4-(3-aminophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 39129690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).