2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide

C16H11Cl2N3O3S — CID 118709470

IUPAC2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide
SMILESCOc1ccc2nc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)sc2c1
InChIInChI=1S/C16H11Cl2N3O3S/c1-24-8-5-6-11-12(7-8)25-16(19-11)21-15(23)20-14(22)13-9(17)3-2-4-10(13)18/h2-7H,1H3,(H2,19,20,21,22,23)
InChIKeyWLRKTRCNYFLXJK-UHFFFAOYSA-N
MW396.26 g/mol
LogP4.57
Rot. Bonds3

About 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide

2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide (PubChem CID 118709470) has the molecular formula C16H11Cl2N3O3S and a molecular weight of 396.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide
PubChem CID118709470
Molecular FormulaC16H11Cl2N3O3S
Molecular Weight396.26 g/mol
Exact Mass394.99
IUPAC Name2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide
SMILESCOc1ccc2nc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)sc2c1
InChIInChI=1S/C16H11Cl2N3O3S/c1-24-8-5-6-11-12(7-8)25-16(19-11)21-15(23)20-14(22)13-9(17)3-2-4-10(13)18/h2-7H,1H3,(H2,19,20,21,22,23)
InChIKeyWLRKTRCNYFLXJK-UHFFFAOYSA-N
XLogP4.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide 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 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide (CID 118709470) is 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide is COc1ccc2nc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)sc2c1.
What is the InChIKey of 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
The InChIKey is WLRKTRCNYFLXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3S/c1-24-8-5-6-11-12(7-8)25-16(19-11)21-15(23)20-14(22)13-9(17)3-2-4-10(13)18/h2-7H,1H3,(H2,19,20,21,22,23).
What are the key properties of 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide has a molecular weight of 396.26 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 118709470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).