N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C22H17F3N4OS — CID 118392876

IUPACN-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)s1
InChIInChI=1S/C22H17F3N4OS/c1-13-26-19(14-6-4-3-5-7-14)21(31-13)27-20(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,30)
InChIKeyWEEKZCGUOOXEJB-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.79
Rot. Bonds4

About N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392876) has the molecular formula C22H17F3N4OS and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392876
Molecular FormulaC22H17F3N4OS
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC NameN-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)s1
InChIInChI=1S/C22H17F3N4OS/c1-13-26-19(14-6-4-3-5-7-14)21(31-13)27-20(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,30)
InChIKeyWEEKZCGUOOXEJB-UHFFFAOYSA-N
XLogP5.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrazol-3-yl)-N-[6-(5-oxopyrrolidin-2-yl)-2-phenylpyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 118394458
N,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 137638508
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-5-yl)benzamide
CID 57518326
US9670157, 82 1-(2-Phenyl-thiazol-4-ylmethyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 90280110
US9670157, 83 1-(2-Phenyl-thiazol-4-ylmethyl)-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 90280225
N-[2-methyl-4-(3-methyl-1H-pyrazol-5-yl)pyrimidin-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 118392420
3-(1-methyl-1H-pyrazol-3-yl)-N-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 118392500
N-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392831
N-[1,2-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392852
N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392855
2-fluoro-N-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392870
N-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392877

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392876) is N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cc1nc(-c2ccccc2)c(NC(=O)c2ccc(C(F)(F)F)c(-c3ccn(C)n3)c2)s1.
What is the InChIKey of N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WEEKZCGUOOXEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4OS/c1-13-26-19(14-6-4-3-5-7-14)21(31-13)27-20(30)15-8-9-17(22(23,24)25)16(12-15)18-10-11-29(2)28-18/h3-12H,1-2H3,(H,27,30).
What are the key properties of N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 442.47 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).