2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C19H15FN4O3S3 — CID 16820720

About 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16820720) has the molecular formula C19H15FN4O3S3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 16820720
• Molecular Formula: C19H15FN4O3S3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.03
• IUPAC Name: 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: Cc1ccc2nc(NC(=O)Cc3csc(NS(=O)(=O)c4ccc(F)cc4)n3)sc2c1
• InChI: InChI=1S/C19H15FN4O3S3/c1-11-2-7-15-16(8-11)29-18(22-15)23-17(25)9-13-10-28-19(21-13)24-30(26,27)14-5-3-12(20)4-6-14/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23,25)
• InChIKey: ZSSGYTRGZLGSQW-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 16820720) is 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)Cc3csc(NS(=O)(=O)c4ccc(F)cc4)n3)sc2c1.

What is the InChIKey of 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is ZSSGYTRGZLGSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S3/c1-11-2-7-15-16(8-11)29-18(22-15)23-17(25)9-13-10-28-19(21-13)24-30(26,27)14-5-3-12(20)4-6-14/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23,25).

What are the key properties of 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16820720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).