4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C16H13F3N4OS — CID 55871877

IUPAC4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2scnc2C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N4OS/c1-9-6-13(21-15(24)14-10(2)20-8-25-14)23(22-9)12-5-3-4-11(7-12)16(17,18)19/h3-8H,1-2H3,(H,21,24)
InChIKeyPDKPDVWMLZNVLG-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.22
Rot. Bonds3

About 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 55871877) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID55871877
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2scnc2C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N4OS/c1-9-6-13(21-15(24)14-10(2)20-8-25-14)23(22-9)12-5-3-4-11(7-12)16(17,18)19/h3-8H,1-2H3,(H,21,24)
InChIKeyPDKPDVWMLZNVLG-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
5-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-4-nitrothiophene-2-carboxamide
CID 55580632
1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55519076
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
5-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55572298
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422
6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55520425
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 78883780
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55503618
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502745
1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 126779984

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 55871877) is 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2scnc2C)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PDKPDVWMLZNVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-9-6-13(21-15(24)14-10(2)20-8-25-14)23(22-9)12-5-3-4-11(7-12)16(17,18)19/h3-8H,1-2H3,(H,21,24).
What are the key properties of 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55871877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).