6-chloro-2-iodo-1,3-benzothiazole

C7H3ClINS — CID 18967167

IUPAC6-chloro-2-iodo-1,3-benzothiazole
SMILESClc1ccc2nc(I)sc2c1
InChIInChI=1S/C7H3ClINS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChIKeyLKNMRUVYQUJWRD-UHFFFAOYSA-N
MW295.53 g/mol
LogP3.55
Rot. Bonds

About 6-chloro-2-iodo-1,3-benzothiazole

6-chloro-2-iodo-1,3-benzothiazole (PubChem CID 18967167) has the molecular formula C7H3ClINS and a molecular weight of 295.53 g/mol. Its IUPAC name is 6-chloro-2-iodo-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-iodo-1,3-benzothiazole
PubChem CID18967167
Molecular FormulaC7H3ClINS
Molecular Weight295.53 g/mol
Exact Mass294.87
IUPAC Name6-chloro-2-iodo-1,3-benzothiazole
SMILESClc1ccc2nc(I)sc2c1
InChIInChI=1S/C7H3ClINS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChIKeyLKNMRUVYQUJWRD-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-2-iodo-1,3-benzothiazole 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-bromo-6-chloro-1,3-benzothiazole
CID 11499762
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
(6-chloro-1,3-benzothiazol-2-yl)methylidenehydrazine;bis(formonitrile)
CID 154945790
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
6-chloro-2-[chloro(phenyl)methyl]-1,3-benzothiazole
CID 79528975
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 70828604
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-iodo-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-iodo-1,3-benzothiazole (CID 18967167) is 6-chloro-2-iodo-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-iodo-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-iodo-1,3-benzothiazole is Clc1ccc2nc(I)sc2c1.
What is the InChIKey of 6-chloro-2-iodo-1,3-benzothiazole?
The InChIKey is LKNMRUVYQUJWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClINS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H.
What are the key properties of 6-chloro-2-iodo-1,3-benzothiazole?
6-chloro-2-iodo-1,3-benzothiazole has a molecular weight of 295.53 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-iodo-1,3-benzothiazole is sourced from PubChem (CID 18967167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).