3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

C22H26N2O5S — CID 40886408

About 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 40886408) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• PubChem CID: 40886408
• Molecular Formula: C22H26N2O5S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.16
• IUPAC Name: 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• SMILES: COCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(C)cc(C)c21
• InChI: InChI=1S/C22H26N2O5S/c1-13-9-14(2)19-18(10-13)30-22(24(19)7-8-26-3)23-21(25)15-11-16(27-4)20(29-6)17(12-15)28-5/h9-12H,7-8H2,1-6H3/b23-22-
• InChIKey: WJBSWXRZBMGSFY-FCQUAONHSA-N
• XLogP: 3.73
• TPSA: 71.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (CID 40886408) is 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is COCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(C)cc(C)c21.

What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The InChIKey is WJBSWXRZBMGSFY-FCQUAONHSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-13-9-14(2)19-18(10-13)30-22(24(19)7-8-26-3)23-21(25)15-11-16(27-4)20(29-6)17(12-15)28-5/h9-12H,7-8H2,1-6H3/b23-22-.

What are the key properties of 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 430.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 40886408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).