ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate

C19H16Cl2N2O4S — CID 43940393

About ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate

ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate (PubChem CID 43940393) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
• PubChem CID: 43940393
• Molecular Formula: C19H16Cl2N2O4S
• Molecular Weight: 439.32 g/mol
• Exact Mass: 438.02
• IUPAC Name: ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
• SMILES: CCOC(=O)Cn1/c(=N/C(=O)c2cc(Cl)ccc2OC)sc2cc(Cl)ccc21
• InChI: InChI=1S/C19H16Cl2N2O4S/c1-3-27-17(24)10-23-14-6-4-12(21)9-16(14)28-19(23)22-18(25)13-8-11(20)5-7-15(13)26-2/h4-9H,3,10H2,1-2H3/b22-19-
• InChIKey: OVSQPSAERNFYDJ-QOCHGBHMSA-N
• XLogP: 4.32
• TPSA: 69.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.32
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?

The IUPAC name of ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate (CID 43940393) is ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate.

What is the SMILES notation for ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?

The canonical SMILES for ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate is CCOC(=O)Cn1/c(=N/C(=O)c2cc(Cl)ccc2OC)sc2cc(Cl)ccc21.

What is the InChIKey of ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?

The InChIKey is OVSQPSAERNFYDJ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c1-3-27-17(24)10-23-14-6-4-12(21)9-16(14)28-19(23)22-18(25)13-8-11(20)5-7-15(13)26-2/h4-9H,3,10H2,1-2H3/b22-19-.

What are the key properties of ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate?

ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate has a molecular weight of 439.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate is sourced from PubChem (CID 43940393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).