2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C23H20F4N6O2S — CID 126503363

About 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126503363) has the molecular formula C23H20F4N6O2S and a molecular weight of 520.51 g/mol. Its IUPAC name is 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 126503363
• Molecular Formula: C23H20F4N6O2S
• Molecular Weight: 520.51 g/mol
• Exact Mass: 520.13
• IUPAC Name: 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: Cc1nn(C)cc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)s1
• InChI: InChI=1S/C23H20F4N6O2S/c1-12-16(11-33(2)31-12)29-21-28-10-17(36-21)14-4-3-13(15(24)7-14)8-20(34)30-19-9-18(35-32-19)22(5-6-22)23(25,26)27/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,28,29)(H,30,32,34)
• InChIKey: GPASWRNKYZQUHY-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The IUPAC name of 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126503363) is 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The canonical SMILES for 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is Cc1nn(C)cc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)s1.

What is the InChIKey of 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The InChIKey is GPASWRNKYZQUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O2S/c1-12-16(11-33(2)31-12)29-21-28-10-17(36-21)14-4-3-13(15(24)7-14)8-20(34)30-19-9-18(35-32-19)22(5-6-22)23(25,26)27/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,28,29)(H,30,32,34).

What are the key properties of 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 520.51 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(1,3-dimethylpyrazol-4-yl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126503363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).