2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide

C22H18F3N3O2S — CID 108754585

About 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide

2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 108754585) has the molecular formula C22H18F3N3O2S and a molecular weight of 445.47 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 108754585
• Molecular Formula: C22H18F3N3O2S
• Molecular Weight: 445.47 g/mol
• Exact Mass: 445.11
• IUPAC Name: 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
• SMILES: CN1C(=O)C(C)(C)c2cc(-c3csc(NC(=O)c4ccccc4C(F)(F)F)n3)ccc21
• InChI: InChI=1S/C22H18F3N3O2S/c1-21(2)15-10-12(8-9-17(15)28(3)19(21)30)16-11-31-20(26-16)27-18(29)13-6-4-5-7-14(13)22(23,24)25/h4-11H,1-3H3,(H,26,27,29)
• InChIKey: CTDKWVMNPVXPGW-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.47
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 108754585) is 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide is CN1C(=O)C(C)(C)c2cc(-c3csc(NC(=O)c4ccccc4C(F)(F)F)n3)ccc21.

What is the InChIKey of 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is CTDKWVMNPVXPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2S/c1-21(2)15-10-12(8-9-17(15)28(3)19(21)30)16-11-31-20(26-16)27-18(29)13-6-4-5-7-14(13)22(23,24)25/h4-11H,1-3H3,(H,26,27,29).

What are the key properties of 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide?

2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 445.47 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108754585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).