N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

C13H15F3N4O2S — CID 111471518

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCCc1cnc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)s1
InChIInChI=1S/C13H15F3N4O2S/c1-3-8-7-18-11(23-8)19-9(21)6-12(22,13(14,15)16)10-17-4-5-20(10)2/h4-5,7,22H,3,6H2,1-2H3,(H,18,19,21)
InChIKeyWUTVKCOHLOUXLC-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.22
Rot. Bonds5

About N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 111471518) has the molecular formula C13H15F3N4O2S and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID111471518
Molecular FormulaC13H15F3N4O2S
Molecular Weight348.35 g/mol
Exact Mass348.09
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCCc1cnc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)s1
InChIInChI=1S/C13H15F3N4O2S/c1-3-8-7-18-11(23-8)19-9(21)6-12(22,13(14,15)16)10-17-4-5-20(10)2/h4-5,7,22H,3,6H2,1-2H3,(H,18,19,21)
InChIKeyWUTVKCOHLOUXLC-UHFFFAOYSA-N
XLogP2.22
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 111471518) is N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is CCc1cnc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is WUTVKCOHLOUXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2S/c1-3-8-7-18-11(23-8)19-9(21)6-12(22,13(14,15)16)10-17-4-5-20(10)2/h4-5,7,22H,3,6H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 348.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 111471518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).