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

C19H18Cl2N2O2S2 — CID 41124805

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

2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 41124805) has the molecular formula C19H18Cl2N2O2S2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide
• PubChem CID: 41124805
• Molecular Formula: C19H18Cl2N2O2S2
• Molecular Weight: 441.41 g/mol
• Exact Mass: 440.02
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide
• SMILES: CSCCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(C)ccc21
• InChI: InChI=1S/C19H18Cl2N2O2S2/c1-12-3-5-15-17(9-12)27-19(23(15)7-8-26-2)22-18(24)11-25-16-6-4-13(20)10-14(16)21/h3-6,9-10H,7-8,11H2,1-2H3/b22-19-
• InChIKey: IUHBCTOLCBJGGQ-QOCHGBHMSA-N
• XLogP: 5.19
• TPSA: 43.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.41
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 41124805) is 2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide.

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

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide is CSCCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(C)ccc21.

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

The InChIKey is IUHBCTOLCBJGGQ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S2/c1-12-3-5-15-17(9-12)27-19(23(15)7-8-26-2)22-18(24)11-25-16-6-4-13(20)10-14(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-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide?

2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 441.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 41124805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).