5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide

C18H16ClFN2O3S — CID 43937943

About 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide

5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide (PubChem CID 43937943) has the molecular formula C18H16ClFN2O3S and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
• PubChem CID: 43937943
• Molecular Formula: C18H16ClFN2O3S
• Molecular Weight: 394.86 g/mol
• Exact Mass: 394.06
• IUPAC Name: 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
• SMILES: COCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)sc2cc(F)ccc21
• InChI: InChI=1S/C18H16ClFN2O3S/c1-24-8-7-22-14-5-4-12(20)10-16(14)26-18(22)21-17(23)13-9-11(19)3-6-15(13)25-2/h3-6,9-10H,7-8H2,1-2H3/b21-18-
• InChIKey: UATHFNKOOGHGAQ-UZYVYHOESA-N
• XLogP: 3.89
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.86
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?

The IUPAC name of 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide (CID 43937943) is 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide.

What is the SMILES notation for 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?

The canonical SMILES for 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide is COCCn1/c(=N/C(=O)c2cc(Cl)ccc2OC)sc2cc(F)ccc21.

What is the InChIKey of 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?

The InChIKey is UATHFNKOOGHGAQ-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16ClFN2O3S/c1-24-8-7-22-14-5-4-12(20)10-16(14)26-18(22)21-17(23)13-9-11(19)3-6-15(13)25-2/h3-6,9-10H,7-8H2,1-2H3/b21-18-.

What are the key properties of 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide?

5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide has a molecular weight of 394.86 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide is sourced from PubChem (CID 43937943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).