2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C21H15ClF4N4OS — CID 19526021

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 19526021) has the molecular formula C21H15ClF4N4OS and a molecular weight of 482.89 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
• PubChem CID: 19526021
• Molecular Formula: C21H15ClF4N4OS
• Molecular Weight: 482.89 g/mol
• Exact Mass: 482.06
• IUPAC Name: 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)Cn4nc(C(F)F)c(Cl)c4C(F)F)cc3)sc2c1
• InChI: InChI=1S/C21H15ClF4N4OS/c1-10-2-7-13-14(8-10)32-21(28-13)11-3-5-12(6-4-11)27-15(31)9-30-18(20(25)26)16(22)17(29-30)19(23)24/h2-8,19-20H,9H2,1H3,(H,27,31)
• InChIKey: OMTAMSOCFSBSTC-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.89
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 19526021) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cn4nc(C(F)F)c(Cl)c4C(F)F)cc3)sc2c1.

What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The InChIKey is OMTAMSOCFSBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N4OS/c1-10-2-7-13-14(8-10)32-21(28-13)11-3-5-12(6-4-11)27-15(31)9-30-18(20(25)26)16(22)17(29-30)19(23)24/h2-8,19-20H,9H2,1H3,(H,27,31).

What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 482.89 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 19526021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).