[(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C17H24FN3O3S — CID 154757298

IUPAC[(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1nc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C17H24FN3O3S/c1-17(2,3)16-19-12(10-25-16)14(22)21-9-11(18)8-13(21)15(23)20-4-6-24-7-5-20/h10-11,13H,4-9H2,1-3H3/t11-,13+/m1/s1
InChIKeyZIYOBPIGEOQVAB-YPMHNXCESA-N
MW369.46 g/mol
LogP1.85
Rot. Bonds2

About [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 154757298) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID154757298
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name[(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1nc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C17H24FN3O3S/c1-17(2,3)16-19-12(10-25-16)14(22)21-9-11(18)8-13(21)15(23)20-4-6-24-7-5-20/h10-11,13H,4-9H2,1-3H3/t11-,13+/m1/s1
InChIKeyZIYOBPIGEOQVAB-YPMHNXCESA-N
XLogP1.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 154757298) is [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is CC(C)(C)c1nc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cs1.
What is the InChIKey of [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is ZIYOBPIGEOQVAB-YPMHNXCESA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-17(2,3)16-19-12(10-25-16)14(22)21-9-11(18)8-13(21)15(23)20-4-6-24-7-5-20/h10-11,13H,4-9H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 369.46 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(2-tert-butyl-1,3-thiazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 154757298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).