N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide

C19H19F2N3O2S2 — CID 22970899

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide (PubChem CID 22970899) has the molecular formula C19H19F2N3O2S2 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide
• PubChem CID: 22970899
• Molecular Formula: C19H19F2N3O2S2
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.09
• IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide
• SMILES: CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1
• InChI: InChI=1S/C19H19F2N3O2S2/c1-19(2,3)14-8-22-16(26-14)10-27-17-9-23-18(28-17)24-15(25)6-11-4-5-12(20)7-13(11)21/h4-5,7-9H,6,10H2,1-3H3,(H,23,24,25)
• InChIKey: DTCZMSXOVWYKMG-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide?

The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide (CID 22970899) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide.

What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide?

The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(F)cc3F)s2)o1.

What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide?

The InChIKey is DTCZMSXOVWYKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S2/c1-19(2,3)14-8-22-16(26-14)10-27-17-9-23-18(28-17)24-15(25)6-11-4-5-12(20)7-13(11)21/h4-5,7-9H,6,10H2,1-3H3,(H,23,24,25).

What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide?

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 22970899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).