2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

C16H13N3O5S — CID 1189154

IUPAC2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C16H13N3O5S/c1-23-11-4-3-5-12(24-2)14(11)15(20)18-16-17-10-7-6-9(19(21)22)8-13(10)25-16/h3-8H,1-2H3,(H,17,18,20)
InChIKeyHQWSTAGDRNWWEZ-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.47
Rot. Bonds5

About 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1189154) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
PubChem CID1189154
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C16H13N3O5S/c1-23-11-4-3-5-12(24-2)14(11)15(20)18-16-17-10-7-6-9(19(21)22)8-13(10)25-16/h3-8H,1-2H3,(H,17,18,20)
InChIKeyHQWSTAGDRNWWEZ-UHFFFAOYSA-N
XLogP3.47
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2,6-dimethoxybenzamide
CID 122438647
N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2,6-dimethoxy-N-methylbenzamide
CID 122438852
N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)(methyl)amino]cyclopentyl]-2,6-dimethoxybenzamide
CID 122438920
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 679224
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
2-hydroxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 3738647
N-(5-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 5207804
N-[(1S,2R)-2-[(1,3-Benzothiazol-2-yl)amino]cyclopentyl]-2,6-dimethoxybenzamide
CID 122438686
2,6-dimethoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]benzamide
CID 659935

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (CID 1189154) is 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1.
What is the InChIKey of 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HQWSTAGDRNWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c1-23-11-4-3-5-12(24-2)14(11)15(20)18-16-17-10-7-6-9(19(21)22)8-13(10)25-16/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 359.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1189154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).