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

C23H20F3N5OS — CID 136576111

IUPAC4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C23H20F3N5OS/c1-14-6-7-15(21(32)29-18-5-3-4-17(9-18)23(24,25)26)8-20(14)27-11-19-13-33-22(30-19)16-10-28-31(2)12-16/h3-10,12-13,27H,11H2,1-2H3,(H,29,32)
InChIKeyFELUOZMDUVUCHH-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.74
Rot. Bonds6

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

4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 136576111) has the molecular formula C23H20F3N5OS and a molecular weight of 471.51 g/mol. Its IUPAC name is 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID136576111
Molecular FormulaC23H20F3N5OS
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C23H20F3N5OS/c1-14-6-7-15(21(32)29-18-5-3-4-17(9-18)23(24,25)26)8-20(14)27-11-19-13-33-22(30-19)16-10-28-31(2)12-16/h3-10,12-13,27H,11H2,1-2H3,(H,29,32)
InChIKeyFELUOZMDUVUCHH-UHFFFAOYSA-N
XLogP5.74
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 136576111) is 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1csc(-c2cnn(C)c2)n1.
What is the InChIKey of 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FELUOZMDUVUCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5OS/c1-14-6-7-15(21(32)29-18-5-3-4-17(9-18)23(24,25)26)8-20(14)27-11-19-13-33-22(30-19)16-10-28-31(2)12-16/h3-10,12-13,27H,11H2,1-2H3,(H,29,32).
What are the key properties of 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 136576111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).