7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one

C11H6Cl2N2OS — CID 132596865

IUPAC7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCc1csc2nc3cc(Cl)c(Cl)cc3n2c1=O
InChIInChI=1S/C11H6Cl2N2OS/c1-5-4-17-11-14-8-2-6(12)7(13)3-9(8)15(11)10(5)16/h2-4H,1H3
InChIKeyXAMUQYXPUSWVOQ-UHFFFAOYSA-N
MW285.16 g/mol
LogP3.52
Rot. Bonds

About 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one

7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 132596865) has the molecular formula C11H6Cl2N2OS and a molecular weight of 285.16 g/mol. Its IUPAC name is 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID132596865
Molecular FormulaC11H6Cl2N2OS
Molecular Weight285.16 g/mol
Exact Mass283.96
IUPAC Name7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCc1csc2nc3cc(Cl)c(Cl)cc3n2c1=O
InChIInChI=1S/C11H6Cl2N2OS/c1-5-4-17-11-14-8-2-6(12)7(13)3-9(8)15(11)10(5)16/h2-4H,1H3
InChIKeyXAMUQYXPUSWVOQ-UHFFFAOYSA-N
XLogP3.52
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 132596865) is 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one is Cc1csc2nc3cc(Cl)c(Cl)cc3n2c1=O.
What is the InChIKey of 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is XAMUQYXPUSWVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2OS/c1-5-4-17-11-14-8-2-6(12)7(13)3-9(8)15(11)10(5)16/h2-4H,1H3.
What are the key properties of 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one?
7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one has a molecular weight of 285.16 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 132596865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).