N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide

C19H18F2N2O3S — CID 16912465

About N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide

N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide (PubChem CID 16912465) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
• PubChem CID: 16912465
• Molecular Formula: C19H18F2N2O3S
• Molecular Weight: 392.43 g/mol
• Exact Mass: 392.10
• IUPAC Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
• SMILES: COCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2cc(F)cc(F)c21
• InChI: InChI=1S/C19H18F2N2O3S/c1-25-7-6-23-18-15(21)10-13(20)11-16(18)27-19(23)22-17(24)9-12-4-3-5-14(8-12)26-2/h3-5,8,10-11H,6-7,9H2,1-2H3/b22-19-
• InChIKey: BOVHWDHBEJDOSG-QOCHGBHMSA-N
• XLogP: 3.31
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.43
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?

The IUPAC name of N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide (CID 16912465) is N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide.

What is the SMILES notation for N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?

The canonical SMILES for N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide is COCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2cc(F)cc(F)c21.

What is the InChIKey of N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?

The InChIKey is BOVHWDHBEJDOSG-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c1-25-7-6-23-18-15(21)10-13(20)11-16(18)27-19(23)22-17(24)9-12-4-3-5-14(8-12)26-2/h3-5,8,10-11H,6-7,9H2,1-2H3/b22-19-.

What are the key properties of N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?

N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 16912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).