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

C13H17F3N2O2S — CID 47801609

IUPACN-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCC2)C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2O2S/c1-8-7-21-11(17-8)12(20,13(14,15)16)6-10(19)18-9-4-2-3-5-9/h7,9,20H,2-6H2,1H3,(H,18,19)
InChIKeyYXHSRBKZRJZWEK-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.65
Rot. Bonds4

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

N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47801609) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47801609
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NC2CCCC2)C(F)(F)F)n1
InChIInChI=1S/C13H17F3N2O2S/c1-8-7-21-11(17-8)12(20,13(14,15)16)6-10(19)18-9-4-2-3-5-9/h7,9,20H,2-6H2,1H3,(H,18,19)
InChIKeyYXHSRBKZRJZWEK-UHFFFAOYSA-N
XLogP2.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 47801609) is N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(C(O)(CC(=O)NC2CCCC2)C(F)(F)F)n1.
What is the InChIKey of N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is YXHSRBKZRJZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-8-7-21-11(17-8)12(20,13(14,15)16)6-10(19)18-9-4-2-3-5-9/h7,9,20H,2-6H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 322.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47801609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).