(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide

C15H15F3N2O2S — CID 95307077

IUPAC(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCc1nccs1
InChIInChI=1S/C15H15F3N2O2S/c1-10(14(21)20-7-6-13-19-8-9-23-13)22-12-5-3-2-4-11(12)15(16,17)18/h2-5,8-10H,6-7H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyOHKQULPHQFGXOQ-SNVBAGLBSA-N
MW344.36 g/mol
LogP3.29
Rot. Bonds6

About (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide

(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95307077) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95307077
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCc1nccs1
InChIInChI=1S/C15H15F3N2O2S/c1-10(14(21)20-7-6-13-19-8-9-23-13)22-12-5-3-2-4-11(12)15(16,17)18/h2-5,8-10H,6-7H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyOHKQULPHQFGXOQ-SNVBAGLBSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95308650
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922
(2R)-2-(2-bromophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 95623315
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 97248963
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98132560
(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097
2-(2-tert-butylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266512

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95307077) is (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide is C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCCc1nccs1.
What is the InChIKey of (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is OHKQULPHQFGXOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-10(14(21)20-7-6-13-19-8-9-23-13)22-12-5-3-2-4-11(12)15(16,17)18/h2-5,8-10H,6-7H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 344.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95307077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).