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

C15H21F3N2O2S — CID 47801754

IUPACN-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCCCC2)C(F)(F)F)n1
InChIInChI=1S/C15H21F3N2O2S/c1-10-9-23-13(19-10)14(22,15(16,17)18)8-12(21)20-11-6-4-2-3-5-7-11/h9,11,22H,2-8H2,1H3,(H,20,21)
InChIKeyULWWPWUKSINOIJ-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.43
Rot. Bonds4

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

N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47801754) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47801754
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC NameN-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCCCC2)C(F)(F)F)n1
InChIInChI=1S/C15H21F3N2O2S/c1-10-9-23-13(19-10)14(22,15(16,17)18)8-12(21)20-11-6-4-2-3-5-7-11/h9,11,22H,2-8H2,1H3,(H,20,21)
InChIKeyULWWPWUKSINOIJ-UHFFFAOYSA-N
XLogP3.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 47801754) is N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(C(O)(CC(=O)NC2CCCCCC2)C(F)(F)F)n1.
What is the InChIKey of N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ULWWPWUKSINOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c1-10-9-23-13(19-10)14(22,15(16,17)18)8-12(21)20-11-6-4-2-3-5-7-11/h9,11,22H,2-8H2,1H3,(H,20,21).
What are the key properties of N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 350.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47801754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).