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

C22H21F3N2OS — CID 134047449

IUPACN-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N2OS/c1-14-8-10-16(11-9-14)21-19(29-15(2)26-21)12-20(28)27(3)13-17-6-4-5-7-18(17)22(23,24)25/h4-11H,12-13H2,1-3H3
InChIKeyNQMKPTZQCGWBKA-UHFFFAOYSA-N
MW418.48 g/mol
LogP5.65
Rot. Bonds5

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

N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 134047449) has the molecular formula C22H21F3N2OS and a molecular weight of 418.48 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID134047449
Molecular FormulaC22H21F3N2OS
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N2OS/c1-14-8-10-16(11-9-14)21-19(29-15(2)26-21)12-20(28)27(3)13-17-6-4-5-7-18(17)22(23,24)25/h4-11H,12-13H2,1-3H3
InChIKeyNQMKPTZQCGWBKA-UHFFFAOYSA-N
XLogP5.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55742590
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55620640
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047252
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047267
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851
(E)-3-(1,3-benzothiazol-2-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047382
methyl 2-[cyclobutyl-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]propanoate
CID 86819609
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134047298
N-[(4-cyanophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-propylacetamide
CID 55587620

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 134047449) is N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is NQMKPTZQCGWBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2OS/c1-14-8-10-16(11-9-14)21-19(29-15(2)26-21)12-20(28)27(3)13-17-6-4-5-7-18(17)22(23,24)25/h4-11H,12-13H2,1-3H3.
What are the key properties of N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 418.48 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134047449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).