1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone

C11H11N3OS — CID 667746

IUPAC1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C11H11N3OS/c1-7(15)9-10(12)14-11(16-9)13-8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,14)
InChIKeyZYCCMMGEMIRHJZ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone

1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone (PubChem CID 667746) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone
PubChem CID667746
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C11H11N3OS/c1-7(15)9-10(12)14-11(16-9)13-8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,14)
InChIKeyZYCCMMGEMIRHJZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone 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 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone (CID 667746) is 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(Nc2ccccc2)nc1N.
What is the InChIKey of 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone?
The InChIKey is ZYCCMMGEMIRHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7(15)9-10(12)14-11(16-9)13-8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone?
1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone has a molecular weight of 233.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-anilino-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 667746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).