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

C13H17F3N2O2S — CID 95203489

IUPAC(3R)-N-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)/t12-/m0/s1
InChIKeyYXHSRBKZRJZWEK-LBPRGKRZSA-N
MW322.35 g/mol
LogP2.65
Rot. Bonds4

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

(3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 95203489) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID95203489
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name(3R)-N-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)/t12-/m0/s1
InChIKeyYXHSRBKZRJZWEK-LBPRGKRZSA-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 (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 95203489) is (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (3R)-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 (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is YXHSRBKZRJZWEK-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
(3R)-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 (3R)-N-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 95203489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).