N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C21H23F3N2OS — CID 55515872

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CC2CCC1C2
InChIInChI=1S/C21H23F3N2OS/c1-12(18-9-13-2-3-15(18)8-13)25-19(27)10-17-11-28-20(26-17)14-4-6-16(7-5-14)21(22,23)24/h4-7,11-13,15,18H,2-3,8-10H2,1H3,(H,25,27)
InChIKeyHTXVXJFICSMSNJ-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.31
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55515872) has the molecular formula C21H23F3N2OS and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID55515872
Molecular FormulaC21H23F3N2OS
Molecular Weight408.49 g/mol
Exact Mass408.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CC2CCC1C2
InChIInChI=1S/C21H23F3N2OS/c1-12(18-9-13-2-3-15(18)8-13)25-19(27)10-17-11-28-20(26-17)14-4-6-16(7-5-14)21(22,23)24/h4-7,11-13,15,18H,2-3,8-10H2,1H3,(H,25,27)
InChIKeyHTXVXJFICSMSNJ-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 98603130
(2R)-3-methyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 142371255
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55973944
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
CID 55794716
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51254649

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 55515872) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CC(NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is HTXVXJFICSMSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2OS/c1-12(18-9-13-2-3-15(18)8-13)25-19(27)10-17-11-28-20(26-17)14-4-6-16(7-5-14)21(22,23)24/h4-7,11-13,15,18H,2-3,8-10H2,1H3,(H,25,27).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 408.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55515872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).