[(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate

C11H12F3N3O4S — CID 142629881

About [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate

[(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate (PubChem CID 142629881) has the molecular formula C11H12F3N3O4S and a molecular weight of 339.30 g/mol. Its IUPAC name is [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate.

Molecular Properties

• Compound Name: [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
• PubChem CID: 142629881
• Molecular Formula: C11H12F3N3O4S
• Molecular Weight: 339.30 g/mol
• Exact Mass: 339.05
• IUPAC Name: [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
• SMILES: CC(=O)OC[C@H](NC(=O)C(F)(F)F)C(=O)Nc1nc(C)cs1
• InChI: InChI=1S/C11H12F3N3O4S/c1-5-4-22-10(15-5)17-8(19)7(3-21-6(2)18)16-9(20)11(12,13)14/h4,7H,3H2,1-2H3,(H,16,20)(H,15,17,19)/t7-/m0/s1
• InChIKey: RYBIQKBAOLMBJI-ZETCQYMHSA-N
• XLogP: 1.00
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.30
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?

The IUPAC name of [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate (CID 142629881) is [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate.

What is the SMILES notation for [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?

The canonical SMILES for [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate is CC(=O)OC[C@H](NC(=O)C(F)(F)F)C(=O)Nc1nc(C)cs1.

What is the InChIKey of [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?

The InChIKey is RYBIQKBAOLMBJI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F3N3O4S/c1-5-4-22-10(15-5)17-8(19)7(3-21-6(2)18)16-9(20)11(12,13)14/h4,7H,3H2,1-2H3,(H,16,20)(H,15,17,19)/t7-/m0/s1.

What are the key properties of [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate?

[(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate has a molecular weight of 339.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate is sourced from PubChem (CID 142629881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).