1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

C19H14Cl2N4O2S — CID 17021915

About 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 17021915) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
• PubChem CID: 17021915
• Molecular Formula: C19H14Cl2N4O2S
• Molecular Weight: 433.32 g/mol
• Exact Mass: 432.02
• IUPAC Name: 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
• SMILES: Cc1ccc2nc(NC(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)sc2c1
• InChI: InChI=1S/C19H14Cl2N4O2S/c1-11-5-6-14-16(9-11)28-19(22-14)23-18(26)15-7-8-25(24-15)10-27-17-12(20)3-2-4-13(17)21/h2-9H,10H2,1H3,(H,22,23,26)
• InChIKey: UIVYYGRUUVWDLT-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.32
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?

The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 17021915) is 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is Cc1ccc2nc(NC(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)sc2c1.

What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?

The InChIKey is UIVYYGRUUVWDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c1-11-5-6-14-16(9-11)28-19(22-14)23-18(26)15-7-8-25(24-15)10-27-17-12(20)3-2-4-13(17)21/h2-9H,10H2,1H3,(H,22,23,26).

What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?

1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 17021915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).