2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide

C19H19FN4O2S2 — CID 56557619

About 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56557619) has the molecular formula C19H19FN4O2S2 and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 56557619
• Molecular Formula: C19H19FN4O2S2
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.09
• IUPAC Name: 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CC(C)c1nc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cs1
• InChI: InChI=1S/C19H19FN4O2S2/c1-11(2)18-22-13(10-27-18)8-21-16(25)7-12-9-28-19(23-12)24-17(26)14-5-3-4-6-15(14)20/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)(H,23,24,26)
• InChIKey: JUEXDMMBVMVYPG-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide (CID 56557619) is 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide is CC(C)c1nc(CNC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)cs1.

What is the InChIKey of 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is JUEXDMMBVMVYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S2/c1-11(2)18-22-13(10-27-18)8-21-16(25)7-12-9-28-19(23-12)24-17(26)14-5-3-4-6-15(14)20/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)(H,23,24,26).

What are the key properties of 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide?

2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56557619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).