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

C19H18Cl2N2O2S — CID 41048204

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

2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 41048204) has the molecular formula C19H18Cl2N2O2S and a molecular weight of 409.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• PubChem CID: 41048204
• Molecular Formula: C19H18Cl2N2O2S
• Molecular Weight: 409.34 g/mol
• Exact Mass: 408.05
• IUPAC Name: 2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• SMILES: COCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(C)c(C)cc21
• InChI: InChI=1S/C19H18Cl2N2O2S/c1-11-8-16-17(9-12(11)2)26-19(23(16)6-7-25-3)22-18(24)14-10-13(20)4-5-15(14)21/h4-5,8-10H,6-7H2,1-3H3/b22-19-
• InChIKey: KJVIXSKYOJLERI-QOCHGBHMSA-N
• XLogP: 5.01
• TPSA: 43.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.34
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (CID 41048204) is 2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

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

The canonical SMILES for 2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is COCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(C)c(C)cc21.

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

The InChIKey is KJVIXSKYOJLERI-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S/c1-11-8-16-17(9-12(11)2)26-19(23(16)6-7-25-3)22-18(24)14-10-13(20)4-5-15(14)21/h4-5,8-10H,6-7H2,1-3H3/b22-19-.

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

2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 409.34 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 41048204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).