2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine

C7H3Cl2FN2S — CID 19933457

IUPAC2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine
SMILESNc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C7H3Cl2FN2S/c8-2-1-3(10)4(11)6-5(2)12-7(9)13-6/h1H,11H2
InChIKeyIWMKNZUMMDXISN-UHFFFAOYSA-N
MW237.09 g/mol
LogP3.32
Rot. Bonds

About 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine

2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine (PubChem CID 19933457) has the molecular formula C7H3Cl2FN2S and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine
PubChem CID19933457
Molecular FormulaC7H3Cl2FN2S
Molecular Weight237.09 g/mol
Exact Mass235.94
IUPAC Name2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine
SMILESNc1c(F)cc(Cl)c2nc(Cl)sc12
InChIInChI=1S/C7H3Cl2FN2S/c8-2-1-3(10)4(11)6-5(2)12-7(9)13-6/h1H,11H2
InChIKeyIWMKNZUMMDXISN-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine 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 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine?
The IUPAC name of 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine (CID 19933457) is 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine is Nc1c(F)cc(Cl)c2nc(Cl)sc12.
What is the InChIKey of 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine?
The InChIKey is IWMKNZUMMDXISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FN2S/c8-2-1-3(10)4(11)6-5(2)12-7(9)13-6/h1H,11H2.
What are the key properties of 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine?
2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine has a molecular weight of 237.09 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 19933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).