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

C9H8N2OS — CID 14774292

IUPAC4-(4-aminophenyl)-3H-1,3-thiazol-2-one
SMILESNc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C9H8N2OS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12)
InChIKeyFVWIKRLHJXJVJR-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.69
Rot. Bonds1

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

4-(4-aminophenyl)-3H-1,3-thiazol-2-one (PubChem CID 14774292) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-3H-1,3-thiazol-2-one
PubChem CID14774292
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-(4-aminophenyl)-3H-1,3-thiazol-2-one
SMILESNc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C9H8N2OS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12)
InChIKeyFVWIKRLHJXJVJR-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-aminophenyl)-3H-1,3-thiazol-2-one (CID 14774292) is 4-(4-aminophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-aminophenyl)-3H-1,3-thiazol-2-one is Nc1ccc(-c2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is FVWIKRLHJXJVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,10H2,(H,11,12).
What are the key properties of 4-(4-aminophenyl)-3H-1,3-thiazol-2-one?
4-(4-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-(4-aminophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 14774292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).