4,5-dichloro-1,3-benzothiazol-2-amine

C7H4Cl2N2S — CID 667739

IUPAC4,5-dichloro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C7H4Cl2N2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)
InChIKeyGMOFXJZIUQGHTF-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.19
Rot. Bonds

About 4,5-dichloro-1,3-benzothiazol-2-amine

4,5-dichloro-1,3-benzothiazol-2-amine (PubChem CID 667739) has the molecular formula C7H4Cl2N2S and a molecular weight of 219.10 g/mol. Its IUPAC name is 4,5-dichloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,5-dichloro-1,3-benzothiazol-2-amine
PubChem CID667739
Molecular FormulaC7H4Cl2N2S
Molecular Weight219.10 g/mol
Exact Mass217.95
IUPAC Name4,5-dichloro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C7H4Cl2N2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)
InChIKeyGMOFXJZIUQGHTF-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dichloro-1,3-benzothiazol-2-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 4,5-dichloro-1,3-benzothiazol-2-amine?
The IUPAC name of 4,5-dichloro-1,3-benzothiazol-2-amine (CID 667739) is 4,5-dichloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,5-dichloro-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,5-dichloro-1,3-benzothiazol-2-amine is Nc1nc2c(Cl)c(Cl)ccc2s1.
What is the InChIKey of 4,5-dichloro-1,3-benzothiazol-2-amine?
The InChIKey is GMOFXJZIUQGHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11).
What are the key properties of 4,5-dichloro-1,3-benzothiazol-2-amine?
4,5-dichloro-1,3-benzothiazol-2-amine has a molecular weight of 219.10 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 667739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).