2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C13H9Cl2NOS — CID 64975731

IUPAC2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C13H9Cl2NOS/c14-8-5-4-7(6-9(8)15)13-16-12-10(17)2-1-3-11(12)18-13/h4-6H,1-3H2
InChIKeyJWYBNATZJFBSQR-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.64
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975731) has the molecular formula C13H9Cl2NOS and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975731
Molecular FormulaC13H9Cl2NOS
Molecular Weight298.19 g/mol
Exact Mass296.98
IUPAC Name2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C13H9Cl2NOS/c14-8-5-4-7(6-9(8)15)13-16-12-10(17)2-1-3-11(12)18-13/h4-6H,1-3H2
InChIKeyJWYBNATZJFBSQR-UHFFFAOYSA-N
XLogP4.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975731) is 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is O=C1CCCc2sc(-c3ccc(Cl)c(Cl)c3)nc21.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is JWYBNATZJFBSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NOS/c14-8-5-4-7(6-9(8)15)13-16-12-10(17)2-1-3-11(12)18-13/h4-6H,1-3H2.
What are the key properties of 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 298.19 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).