2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

C20H21FN2O4S — CID 16912828

About 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 16912828) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
• PubChem CID: 16912828
• Molecular Formula: C20H21FN2O4S
• Molecular Weight: 404.46 g/mol
• Exact Mass: 404.12
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
• SMILES: COCCn1/c(=N/C(=O)Cc2ccc(OC)c(OC)c2)sc2cccc(F)c21
• InChI: InChI=1S/C20H21FN2O4S/c1-25-10-9-23-19-14(21)5-4-6-17(19)28-20(23)22-18(24)12-13-7-8-15(26-2)16(11-13)27-3/h4-8,11H,9-10,12H2,1-3H3/b22-20-
• InChIKey: WUBWIJGWQOLOLW-XDOYNYLZSA-N
• XLogP: 3.18
• TPSA: 62.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.46
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 16912828) is 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

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

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is COCCn1/c(=N/C(=O)Cc2ccc(OC)c(OC)c2)sc2cccc(F)c21.

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

The InChIKey is WUBWIJGWQOLOLW-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-25-10-9-23-19-14(21)5-4-6-17(19)28-20(23)22-18(24)12-13-7-8-15(26-2)16(11-13)27-3/h4-8,11H,9-10,12H2,1-3H3/b22-20-.

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

2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 404.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 16912828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).