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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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).