2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one

C7H6ClNOS — CID 55253110

IUPAC2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESO=C1CCc2nc(Cl)sc2C1
InChIInChI=1S/C7H6ClNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3H2
InChIKeyPTCYHAOCEIQYQM-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.85
Rot. Bonds

About 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one

2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one (PubChem CID 55253110) has the molecular formula C7H6ClNOS and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one.

Molecular Properties

Compound Name2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one
PubChem CID55253110
Molecular FormulaC7H6ClNOS
Molecular Weight187.65 g/mol
Exact Mass186.99
IUPAC Name2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESO=C1CCc2nc(Cl)sc2C1
InChIInChI=1S/C7H6ClNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3H2
InChIKeyPTCYHAOCEIQYQM-UHFFFAOYSA-N
XLogP1.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-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 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The IUPAC name of 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one (CID 55253110) is 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one.
What is the SMILES notation for 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The canonical SMILES for 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one is O=C1CCc2nc(Cl)sc2C1.
What is the InChIKey of 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The InChIKey is PTCYHAOCEIQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNOS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3H2.
What are the key properties of 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one?
2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one has a molecular weight of 187.65 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dihydro-4H-1,3-benzothiazol-6-one is sourced from PubChem (CID 55253110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).