N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide

C20H18N2O3S — CID 1160713

IUPACN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C20H18N2O3S/c1-24-14-8-5-9-15(25-2)17(14)19(23)22-20-21-18-13-7-4-3-6-12(13)10-11-16(18)26-20/h3-9H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyLPYAMQXMNFZJLW-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.18
Rot. Bonds4

About N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide

N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide (PubChem CID 1160713) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide
PubChem CID1160713
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C20H18N2O3S/c1-24-14-8-5-9-15(25-2)17(14)19(23)22-20-21-18-13-7-4-3-6-12(13)10-11-16(18)26-20/h3-9H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyLPYAMQXMNFZJLW-UHFFFAOYSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-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-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide (CID 1160713) is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1nc2c(s1)CCc1ccccc1-2.
What is the InChIKey of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide?
The InChIKey is LPYAMQXMNFZJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-14-8-5-9-15(25-2)17(14)19(23)22-20-21-18-13-7-4-3-6-12(13)10-11-16(18)26-20/h3-9H,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide?
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide has a molecular weight of 366.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 1160713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).