N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

C21H20N2O3S — CID 40700184

About N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (PubChem CID 40700184) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
• PubChem CID: 40700184
• Molecular Formula: C21H20N2O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.12
• IUPAC Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
• SMILES: COCCn1/c(=N/C(=O)c2cc3ccccc3o2)sc2c(C)cc(C)cc21
• InChI: InChI=1S/C21H20N2O3S/c1-13-10-14(2)19-16(11-13)23(8-9-25-3)21(27-19)22-20(24)18-12-15-6-4-5-7-17(15)26-18/h4-7,10-12H,8-9H2,1-3H3/b22-21-
• InChIKey: CLWMIJRFDMYXIJ-DQRAZIAOSA-N
• XLogP: 4.45
• TPSA: 56.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (CID 40700184) is N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is COCCn1/c(=N/C(=O)c2cc3ccccc3o2)sc2c(C)cc(C)cc21.

What is the InChIKey of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The InChIKey is CLWMIJRFDMYXIJ-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-10-14(2)19-16(11-13)23(8-9-25-3)21(27-19)22-20(24)18-12-15-6-4-5-7-17(15)26-18/h4-7,10-12H,8-9H2,1-3H3/b22-21-.

What are the key properties of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40700184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).