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

C19H18Cl2N2O4S — CID 4121652

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

2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 4121652) has the molecular formula C19H18Cl2N2O4S and a molecular weight of 441.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
• PubChem CID: 4121652
• Molecular Formula: C19H18Cl2N2O4S
• Molecular Weight: 441.34 g/mol
• Exact Mass: 440.04
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
• SMILES: COCCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(OC)ccc21
• InChI: InChI=1S/C19H18Cl2N2O4S/c1-25-8-7-23-15-5-4-13(26-2)10-17(15)28-19(23)22-18(24)11-27-16-6-3-12(20)9-14(16)21/h3-6,9-10H,7-8,11H2,1-2H3/b22-19-
• InChIKey: RYJHTCCCSNUBEB-QOCHGBHMSA-N
• XLogP: 4.17
• 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	441.34
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 4121652) is 2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

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

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is COCCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(OC)ccc21.

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

The InChIKey is RYJHTCCCSNUBEB-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4S/c1-25-8-7-23-15-5-4-13(26-2)10-17(15)28-19(23)22-18(24)11-27-16-6-3-12(20)9-14(16)21/h3-6,9-10H,7-8,11H2,1-2H3/b22-19-.

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

2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 441.34 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 4121652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).