5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

C23H22F3N3O4S — CID 173062397

IUPAC5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](Cc1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O)c1ccccc1
InChIInChI=1S/C23H22F3N3O4S/c1-14(15-5-3-2-4-6-15)11-18-21(22(27)31)29-20(34-18)12-28-19(30)13-32-16-7-9-17(10-8-16)33-23(24,25)26/h2-10,14H,11-13H2,1H3,(H2,27,31)(H,28,30)/t14-/m0/s1
InChIKeySCCFQKOUOJCFEI-AWEZNQCLSA-N
MW493.51 g/mol
LogP4.18
Rot. Bonds10

About 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 173062397) has the molecular formula C23H22F3N3O4S and a molecular weight of 493.51 g/mol. Its IUPAC name is 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID173062397
Molecular FormulaC23H22F3N3O4S
Molecular Weight493.51 g/mol
Exact Mass493.13
IUPAC Name5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](Cc1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O)c1ccccc1
InChIInChI=1S/C23H22F3N3O4S/c1-14(15-5-3-2-4-6-15)11-18-21(22(27)31)29-20(34-18)12-28-19(30)13-32-16-7-9-17(10-8-16)33-23(24,25)26/h2-10,14H,11-13H2,1H3,(H2,27,31)(H,28,30)/t14-/m0/s1
InChIKeySCCFQKOUOJCFEI-AWEZNQCLSA-N
XLogP4.18
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-[(3-methylthiophen-2-yl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062956
5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062272
5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173136924
5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 173062314
N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120882
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
N-[(2-methoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 11562323
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
[2-(benzylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2353376

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 173062397) is 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is C[C@@H](Cc1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O)c1ccccc1.
What is the InChIKey of 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SCCFQKOUOJCFEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22F3N3O4S/c1-14(15-5-3-2-4-6-15)11-18-21(22(27)31)29-20(34-18)12-28-19(30)13-32-16-7-9-17(10-8-16)33-23(24,25)26/h2-10,14H,11-13H2,1H3,(H2,27,31)(H,28,30)/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173062397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).