N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

C16H23F3N2O2S — CID 47801617

IUPACN-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCCCCC2)C(F)(F)F)n1
InChIInChI=1S/C16H23F3N2O2S/c1-11-10-24-14(20-11)15(23,16(17,18)19)9-13(22)21-12-7-5-3-2-4-6-8-12/h10,12,23H,2-9H2,1H3,(H,21,22)
InChIKeyBXEJKGDCYWBINT-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.82
Rot. Bonds4

About N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47801617) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47801617
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC NameN-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCCCCC2)C(F)(F)F)n1
InChIInChI=1S/C16H23F3N2O2S/c1-11-10-24-14(20-11)15(23,16(17,18)19)9-13(22)21-12-7-5-3-2-4-6-8-12/h10,12,23H,2-9H2,1H3,(H,21,22)
InChIKeyBXEJKGDCYWBINT-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 47801617) is N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(C(O)(CC(=O)NC2CCCCCCC2)C(F)(F)F)n1.
What is the InChIKey of N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is BXEJKGDCYWBINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-11-10-24-14(20-11)15(23,16(17,18)19)9-13(22)21-12-7-5-3-2-4-6-8-12/h10,12,23H,2-9H2,1H3,(H,21,22).
What are the key properties of N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 364.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47801617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).