N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

C15H19F3N4O2S — CID 86918628

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1nc(C(C)(C)C)cs1)C(F)(F)F
InChIInChI=1S/C15H19F3N4O2S/c1-13(2,3)9-8-25-12(20-9)21-10(23)7-14(24,15(16,17)18)11-19-5-6-22(11)4/h5-6,8,24H,7H2,1-4H3,(H,20,21,23)
InChIKeyAQQHVUUMLOPXOO-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.95
Rot. Bonds4

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 86918628) has the molecular formula C15H19F3N4O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID86918628
Molecular FormulaC15H19F3N4O2S
Molecular Weight376.40 g/mol
Exact Mass376.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1nc(C(C)(C)C)cs1)C(F)(F)F
InChIInChI=1S/C15H19F3N4O2S/c1-13(2,3)9-8-25-12(20-9)21-10(23)7-14(24,15(16,17)18)11-19-5-6-22(11)4/h5-6,8,24H,7H2,1-4H3,(H,20,21,23)
InChIKeyAQQHVUUMLOPXOO-UHFFFAOYSA-N
XLogP2.95
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 86918628) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is Cn1ccnc1C(O)(CC(=O)Nc1nc(C(C)(C)C)cs1)C(F)(F)F.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is AQQHVUUMLOPXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2S/c1-13(2,3)9-8-25-12(20-9)21-10(23)7-14(24,15(16,17)18)11-19-5-6-22(11)4/h5-6,8,24H,7H2,1-4H3,(H,20,21,23).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 376.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 86918628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).