(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

C16H15F3N2O2S — CID 97248963

IUPAC(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1scnc1C1CC1
InChIInChI=1S/C16H15F3N2O2S/c1-9(23-12-5-3-2-4-11(12)16(17,18)19)14(22)21-15-13(10-6-7-10)20-8-24-15/h2-5,8-10H,6-7H2,1H3,(H,21,22)/t9-/m1/s1
InChIKeyVDNWASHKFMQFQZ-SECBINFHSA-N
MW356.37 g/mol
LogP4.45
Rot. Bonds5

About (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide

(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (PubChem CID 97248963) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
PubChem CID97248963
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1scnc1C1CC1
InChIInChI=1S/C16H15F3N2O2S/c1-9(23-12-5-3-2-4-11(12)16(17,18)19)14(22)21-15-13(10-6-7-10)20-8-24-15/h2-5,8-10H,6-7H2,1H3,(H,21,22)/t9-/m1/s1
InChIKeyVDNWASHKFMQFQZ-SECBINFHSA-N
XLogP4.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95284436
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120643455
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95308650
(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097
(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95307077
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
N-[2-(aminomethyl)cyclohexyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119611197
1-[4-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119562344
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
(2R)-N-(4,5-dicyano-1H-imidazol-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95298813
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide (CID 97248963) is (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1scnc1C1CC1.
What is the InChIKey of (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is VDNWASHKFMQFQZ-SECBINFHSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-9(23-12-5-3-2-4-11(12)16(17,18)19)14(22)21-15-13(10-6-7-10)20-8-24-15/h2-5,8-10H,6-7H2,1H3,(H,21,22)/t9-/m1/s1.
What are the key properties of (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide?
(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 356.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 97248963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).