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

C21H19F3N2O2S — CID 37491918

IUPACN-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C21H19F3N2O2S/c1-14-3-7-16(8-4-14)20-25-17(13-29-20)11-19(27)26(2)12-15-5-9-18(10-6-15)28-21(22,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyZREWPXLFXAKQNP-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.22
Rot. Bonds6

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

N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 37491918) has the molecular formula C21H19F3N2O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID37491918
Molecular FormulaC21H19F3N2O2S
Molecular Weight420.46 g/mol
Exact Mass420.11
IUPAC NameN-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)cs2)cc1
InChIInChI=1S/C21H19F3N2O2S/c1-14-3-7-16(8-4-14)20-25-17(13-29-20)11-19(27)26(2)12-15-5-9-18(10-6-15)28-21(22,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyZREWPXLFXAKQNP-UHFFFAOYSA-N
XLogP5.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 43442512
N-methyl-2-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 52570534
3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 103485252
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39966421
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
2-amino-N-methyl-2-(4-methylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120667234
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419
3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]propanoic acid
CID 119232469
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 109400065
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 38041240
5-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221877

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide (CID 37491918) is N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)cs2)cc1.
What is the InChIKey of N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is ZREWPXLFXAKQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2S/c1-14-3-7-16(8-4-14)20-25-17(13-29-20)11-19(27)26(2)12-15-5-9-18(10-6-15)28-21(22,23)24/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide?
N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 420.46 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 37491918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).