N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

C16H14N2O3S — CID 788928

IUPACN-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C16H14N2O3S/c1-20-10-7-8-11(13(9-10)21-2)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyOKYSLUGVEDMPMA-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide (PubChem CID 788928) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
PubChem CID788928
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C16H14N2O3S/c1-20-10-7-8-11(13(9-10)21-2)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyOKYSLUGVEDMPMA-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide 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 N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide (CID 788928) is N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The InChIKey is OKYSLUGVEDMPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-10-7-8-11(13(9-10)21-2)15(19)18-16-17-12-5-3-4-6-14(12)22-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide has a molecular weight of 314.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 788928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).