2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one

C10H7N3OS2 — CID 59414095

IUPAC2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one
SMILESNc1ccc2nc(C3=NC(=O)CS3)sc2c1
InChIInChI=1S/C10H7N3OS2/c11-5-1-2-6-7(3-5)16-10(12-6)9-13-8(14)4-15-9/h1-3H,4,11H2
InChIKeyVTLWYUBFWXWXRN-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.90
Rot. Bonds1

About 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one

2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one (PubChem CID 59414095) has the molecular formula C10H7N3OS2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one
PubChem CID59414095
Molecular FormulaC10H7N3OS2
Molecular Weight249.32 g/mol
Exact Mass249.00
IUPAC Name2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one
SMILESNc1ccc2nc(C3=NC(=O)CS3)sc2c1
InChIInChI=1S/C10H7N3OS2/c11-5-1-2-6-7(3-5)16-10(12-6)9-13-8(14)4-15-9/h1-3H,4,11H2
InChIKeyVTLWYUBFWXWXRN-UHFFFAOYSA-N
XLogP1.90
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(cyclobutylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-one
CID 122164597
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152
4-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyridin-2-one
CID 114040008
2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine
CID 66202280
2-(5-bromo-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 66201515
2-(4-methylsulfonylphenyl)-1,3-benzothiazol-6-amine
CID 66203444
2-(1-methylpyrazol-4-yl)-1,3-benzothiazol-6-amine
CID 66201319
2-(3-bromo-4-fluorophenyl)-1,3-benzothiazol-6-amine
CID 107954879
3-(6-amino-1,3-benzothiazol-2-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60790908

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one (CID 59414095) is 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one is Nc1ccc2nc(C3=NC(=O)CS3)sc2c1.
What is the InChIKey of 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one?
The InChIKey is VTLWYUBFWXWXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS2/c11-5-1-2-6-7(3-5)16-10(12-6)9-13-8(14)4-15-9/h1-3H,4,11H2.
What are the key properties of 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one?
2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one has a molecular weight of 249.32 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 59414095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).