2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

C17H13Cl2FN2O2S — CID 5079939

About 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 5079939) has the molecular formula C17H13Cl2FN2O2S and a molecular weight of 399.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
• PubChem CID: 5079939
• Molecular Formula: C17H13Cl2FN2O2S
• Molecular Weight: 399.27 g/mol
• Exact Mass: 398.01
• IUPAC Name: 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
• SMILES: COCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(F)ccc21
• InChI: InChI=1S/C17H13Cl2FN2O2S/c1-24-7-6-22-14-5-3-11(20)9-15(14)25-17(22)21-16(23)12-4-2-10(18)8-13(12)19/h2-5,8-9H,6-7H2,1H3/b21-17-
• InChIKey: BZFNSICETHGJLS-FXBPSFAMSA-N
• XLogP: 4.54
• TPSA: 43.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.27
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?

The IUPAC name of 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide (CID 5079939) is 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?

The canonical SMILES for 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide is COCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(F)ccc21.

What is the InChIKey of 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?

The InChIKey is BZFNSICETHGJLS-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O2S/c1-24-7-6-22-14-5-3-11(20)9-15(14)25-17(22)21-16(23)12-4-2-10(18)8-13(12)19/h2-5,8-9H,6-7H2,1H3/b21-17-.

What are the key properties of 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?

2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 399.27 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 5079939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).