N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H15F3N4O2S — CID 2555090

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cn3ccc(C(F)(F)F)n3)sc2C)cc1
InChIInChI=1S/C17H15F3N4O2S/c1-10-15(11-3-5-12(26-2)6-4-11)22-16(27-10)21-14(25)9-24-8-7-13(23-24)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,22,25)
InChIKeyWURYWXUNXLSIOP-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.98
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2555090) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2555090
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cn3ccc(C(F)(F)F)n3)sc2C)cc1
InChIInChI=1S/C17H15F3N4O2S/c1-10-15(11-3-5-12(26-2)6-4-11)22-16(27-10)21-14(25)9-24-8-7-13(23-24)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,22,25)
InChIKeyWURYWXUNXLSIOP-UHFFFAOYSA-N
XLogP3.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2555090) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(-c2nc(NC(=O)Cn3ccc(C(F)(F)F)n3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WURYWXUNXLSIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-10-15(11-3-5-12(26-2)6-4-11)22-16(27-10)21-14(25)9-24-8-7-13(23-24)17(18,19)20/h3-8H,9H2,1-2H3,(H,21,22,25).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2555090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).