2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C20H18FN5OS — CID 43987322

About 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43987322) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 43987322
• Molecular Formula: C20H18FN5OS
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.12
• IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1cc(C)n(CC(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)n1
• InChI: InChI=1S/C20H18FN5OS/c1-13-10-14(2)26(24-13)12-18(27)25(11-15-6-3-4-9-22-15)20-23-19-16(21)7-5-8-17(19)28-20/h3-10H,11-12H2,1-2H3
• InChIKey: DWSPDAYVHLGRRT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 43987322) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(C)n(CC(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)n1.

What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is DWSPDAYVHLGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-13-10-14(2)26(24-13)12-18(27)25(11-15-6-3-4-9-22-15)20-23-19-16(21)7-5-8-17(19)28-20/h3-10H,11-12H2,1-2H3.

What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43987322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).