4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide

C21H17F3N2O2S — CID 37038090

IUPAC4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C21H17F3N2O2S/c22-21(23,24)16-8-4-5-14(11-16)12-17-13-25-20(29-17)26-19(28)10-9-18(27)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,25,26,28)
InChIKeyLAZQBVGUJLTLJQ-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.35
Rot. Bonds7

About 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide

4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 37038090) has the molecular formula C21H17F3N2O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID37038090
Molecular FormulaC21H17F3N2O2S
Molecular Weight418.44 g/mol
Exact Mass418.10
IUPAC Name4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C21H17F3N2O2S/c22-21(23,24)16-8-4-5-14(11-16)12-17-13-25-20(29-17)26-19(28)10-9-18(27)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,25,26,28)
InChIKeyLAZQBVGUJLTLJQ-UHFFFAOYSA-N
XLogP5.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 24573134
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
4-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122074596
2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836246
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
6-[(5E)-4-oxo-5-[4-oxo-3-[6-oxo-6-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]hexyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide
CID 6201596
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 24658292

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide (CID 37038090) is 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide is O=C(CCC(=O)c1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is LAZQBVGUJLTLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2S/c22-21(23,24)16-8-4-5-14(11-16)12-17-13-25-20(29-17)26-19(28)10-9-18(27)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,25,26,28).
What are the key properties of 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 418.44 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 37038090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).