N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide

C23H21F3N2O2S — CID 2498919

IUPACN-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H21F3N2O2S/c24-23(25,26)30-19-12-10-18(11-13-19)21(29)28-22-27-20(14-31-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-15H,1-5H2,(H,27,28,29)
InChIKeyMNYSFJAUECBRTK-UHFFFAOYSA-N
MW446.49 g/mol
LogP7.01
Rot. Bonds5

About N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide

N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 2498919) has the molecular formula C23H21F3N2O2S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID2498919
Molecular FormulaC23H21F3N2O2S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC NameN-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H21F3N2O2S/c24-23(25,26)30-19-12-10-18(11-13-19)21(29)28-22-27-20(14-31-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-15H,1-5H2,(H,27,28,29)
InChIKeyMNYSFJAUECBRTK-UHFFFAOYSA-N
XLogP7.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.49
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 16561580
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
1-[4-[[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564297
2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87665224
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
4-[2-[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]ethyl]benzoic acid
CID 23023955
methyl 4-[2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 3450897
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2578252
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide (CID 2498919) is N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is MNYSFJAUECBRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-19-12-10-18(11-13-19)21(29)28-22-27-20(14-31-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-15H,1-5H2,(H,27,28,29).
What are the key properties of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 446.49 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 2498919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).