2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide

C21H15F3N4O2S — CID 1489580

IUPAC2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C21H15F3N4O2S/c1-30-15-9-7-14(8-10-15)17-12-31-20(25-17)28-18(26-19(29)21(22,23)24)11-16(27-28)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29)
InChIKeyGHIWUAFKXJNFIH-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.17
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide

2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide (PubChem CID 1489580) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide
PubChem CID1489580
Molecular FormulaC21H15F3N4O2S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC Name2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(=O)C(F)(F)F)n2)cc1
InChIInChI=1S/C21H15F3N4O2S/c1-30-15-9-7-14(8-10-15)17-12-31-20(25-17)28-18(26-19(29)21(22,23)24)11-16(27-28)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29)
InChIKeyGHIWUAFKXJNFIH-UHFFFAOYSA-N
XLogP5.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968117
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474403
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4540182
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4965237
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5114416
2-(4-Fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}acetamide
CID 7243428
N-(4-Ethylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015330
N'-(4-Ethylphenyl)-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}ethanediamide
CID 16032652
N1-(3-acetamidophenyl)-N2-(2-(2-(4-methoxyphenyl)-6-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl)oxalamide
CID 16032676
N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 25282247
2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71602900

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide (CID 1489580) is 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide is COc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(=O)C(F)(F)F)n2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is GHIWUAFKXJNFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c1-30-15-9-7-14(8-10-15)17-12-31-20(25-17)28-18(26-19(29)21(22,23)24)11-16(27-28)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29).
What are the key properties of 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide?
2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 444.44 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 1489580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).