5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one

C15H12F3N3O2S — CID 25263628

IUPAC5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one
SMILESC[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1cc(=O)[nH]o1
InChIInChI=1S/C15H12F3N3O2S/c1-8(11-6-13(22)21-23-11)9-2-4-10(5-3-9)19-14-20-12(7-24-14)15(16,17)18/h2-8H,1H3,(H,19,20)(H,21,22)/t8-/m1/s1
InChIKeyJZCYGJPMWDIUIJ-MRVPVSSYSA-N
MW355.34 g/mol
LogP4.34
Rot. Bonds4

About 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one

5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one (PubChem CID 25263628) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one
PubChem CID25263628
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one
SMILESC[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1cc(=O)[nH]o1
InChIInChI=1S/C15H12F3N3O2S/c1-8(11-6-13(22)21-23-11)9-2-4-10(5-3-9)19-14-20-12(7-24-14)15(16,17)18/h2-8H,1H3,(H,19,20)(H,21,22)/t8-/m1/s1
InChIKeyJZCYGJPMWDIUIJ-MRVPVSSYSA-N
XLogP4.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 90892461
(2R)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanal
CID 87085958
N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 91311697
sodium;(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoate;hydrate
CID 178064344
N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 174667068
3-oxo-4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]pentanoic acid
CID 174600822
(2S)-N-[(2S)-3-methylbutan-2-yl]-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 150737473
N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 75093174
2-methyl-2-[[(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoyl]amino]propanoic acid
CID 87374189
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796
N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide
CID 171782810
sodium;N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propanoic acid
CID 174634412

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one (CID 25263628) is 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one is C[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1cc(=O)[nH]o1.
What is the InChIKey of 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one?
The InChIKey is JZCYGJPMWDIUIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-8(11-6-13(22)21-23-11)9-2-4-10(5-3-9)19-14-20-12(7-24-14)15(16,17)18/h2-8H,1H3,(H,19,20)(H,21,22)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one?
5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one has a molecular weight of 355.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one is sourced from PubChem (CID 25263628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).