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

C22H21F3N2OS — CID 7119194

IUPAC4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H21F3N2OS/c23-22(24,25)18-11-9-17(10-12-18)21-27-19(15-29-21)13-14-26-20(28)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,15H,4,7-8,13-14H2,(H,26,28)
InChIKeyUWADGRDGNMZIMR-UHFFFAOYSA-N
MW418.48 g/mol
LogP5.51
Rot. Bonds8

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

4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide (PubChem CID 7119194) has the molecular formula C22H21F3N2OS and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
PubChem CID7119194
Molecular FormulaC22H21F3N2OS
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H21F3N2OS/c23-22(24,25)18-11-9-17(10-12-18)21-27-19(15-29-21)13-14-26-20(28)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,15H,4,7-8,13-14H2,(H,26,28)
InChIKeyUWADGRDGNMZIMR-UHFFFAOYSA-N
XLogP5.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-{2-methyl-4-[4-(methylsulfanyl)phenyl]-1,3-thiazol-5-yl}cyclohexane-1-carboxamide
CID 16747703
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl]butan-1-one
CID 10388027
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl}butan-1-one
CID 10412922
4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
4-(2-{[(Propylsulfonyl)amino]methyl}-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzamide
CID 73505035
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl]butan-1-one
CID 23645940
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645941
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide (CID 7119194) is 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide is O=C(CCCc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
The InChIKey is UWADGRDGNMZIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2OS/c23-22(24,25)18-11-9-17(10-12-18)21-27-19(15-29-21)13-14-26-20(28)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,15H,4,7-8,13-14H2,(H,26,28).
What are the key properties of 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide has a molecular weight of 418.48 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide is sourced from PubChem (CID 7119194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).