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

C22H18N2O3S — CID 4136782

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C22H18N2O3S/c1-26-14-11-12-16(19(13-14)27-2)21(25)23-17-8-4-3-7-15(17)22-24-18-9-5-6-10-20(18)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyBITKRVMQDIDREI-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.23
Rot. Bonds5

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide (PubChem CID 4136782) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide
PubChem CID4136782
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C22H18N2O3S/c1-26-14-11-12-16(19(13-14)27-2)21(25)23-17-8-4-3-7-15(17)22-24-18-9-5-6-10-20(18)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyBITKRVMQDIDREI-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzothiazol-2-yl)phenyl]-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-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide (CID 4136782) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(OC)c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide?
The InChIKey is BITKRVMQDIDREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-14-11-12-16(19(13-14)27-2)21(25)23-17-8-4-3-7-15(17)22-24-18-9-5-6-10-20(18)28-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide has a molecular weight of 390.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 4136782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).