3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide

C18H18N2O3S — CID 2114850

IUPAC3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C18H18N2O3S/c1-22-12-7-8-13(15(11-12)23-2)19-17(21)9-10-18-20-14-5-3-4-6-16(14)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyQIWUYSCMONWNAT-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.88
Rot. Bonds6

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

3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 2114850) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID2114850
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C18H18N2O3S/c1-22-12-7-8-13(15(11-12)23-2)19-17(21)9-10-18-20-14-5-3-4-6-16(14)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyQIWUYSCMONWNAT-UHFFFAOYSA-N
XLogP3.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide 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 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide (CID 2114850) is 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2nc3ccccc3s2)c(OC)c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is QIWUYSCMONWNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-22-12-7-8-13(15(11-12)23-2)19-17(21)9-10-18-20-14-5-3-4-6-16(14)24-18/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2114850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).