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

C14H13F3N2O2S — CID 95308650

IUPAC(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1nccs1
InChIInChI=1S/C14H13F3N2O2S/c1-9(13(20)19-8-12-18-6-7-22-12)21-11-5-3-2-4-10(11)14(15,16)17/h2-7,9H,8H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyGKYAMPSYLRLTFD-SECBINFHSA-N
MW330.33 g/mol
LogP3.25
Rot. Bonds5

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

(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 95308650) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID95308650
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1nccs1
InChIInChI=1S/C14H13F3N2O2S/c1-9(13(20)19-8-12-18-6-7-22-12)21-11-5-3-2-4-10(11)14(15,16)17/h2-7,9H,8H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyGKYAMPSYLRLTFD-SECBINFHSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95307077
(2R)-2-(2-bromophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 95623315
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
(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
2-(2-tert-butylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266512
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 95308650) is (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide is C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1nccs1.
What is the InChIKey of (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is GKYAMPSYLRLTFD-SECBINFHSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-9(13(20)19-8-12-18-6-7-22-12)21-11-5-3-2-4-10(11)14(15,16)17/h2-7,9H,8H2,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 330.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 95308650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).