6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one

C12H6Cl2N2OS — CID 122656547

IUPAC6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cncc3Cl)cc2s1
InChIInChI=1S/C12H6Cl2N2OS/c13-7-4-15-5-8(14)11(7)6-1-2-9-10(3-6)18-12(17)16-9/h1-5H,(H,16,17)
InChIKeyFRWOYQYIYLCQKH-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.96
Rot. Bonds1

About 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one

6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one (PubChem CID 122656547) has the molecular formula C12H6Cl2N2OS and a molecular weight of 297.17 g/mol. Its IUPAC name is 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one
PubChem CID122656547
Molecular FormulaC12H6Cl2N2OS
Molecular Weight297.17 g/mol
Exact Mass295.96
IUPAC Name6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cncc3Cl)cc2s1
InChIInChI=1S/C12H6Cl2N2OS/c13-7-4-15-5-8(14)11(7)6-1-2-9-10(3-6)18-12(17)16-9/h1-5H,(H,16,17)
InChIKeyFRWOYQYIYLCQKH-UHFFFAOYSA-N
XLogP3.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one 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 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one (CID 122656547) is 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)cncc3Cl)cc2s1.
What is the InChIKey of 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one?
The InChIKey is FRWOYQYIYLCQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS/c13-7-4-15-5-8(14)11(7)6-1-2-9-10(3-6)18-12(17)16-9/h1-5H,(H,16,17).
What are the key properties of 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one?
6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one has a molecular weight of 297.17 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichloro-4-pyridinyl)-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 122656547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).