N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

C21H19F3N2O3S — CID 38076408

IUPACN-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)N(C)Cc3ccccc3OC(F)(F)F)cs2)cc1
InChIInChI=1S/C21H19F3N2O3S/c1-14-7-9-16(10-8-14)28-12-19-25-17(13-30-19)20(27)26(2)11-15-5-3-4-6-18(15)29-21(22,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyQZBHMPLJHSZHRM-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.20
Rot. Bonds7

About N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 38076408) has the molecular formula C21H19F3N2O3S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID38076408
Molecular FormulaC21H19F3N2O3S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC NameN-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)N(C)Cc3ccccc3OC(F)(F)F)cs2)cc1
InChIInChI=1S/C21H19F3N2O3S/c1-14-7-9-16(10-8-14)28-12-19-25-17(13-30-19)20(27)26(2)11-15-5-3-4-6-18(15)29-21(22,23)24/h3-10,13H,11-12H2,1-2H3
InChIKeyQZBHMPLJHSZHRM-UHFFFAOYSA-N
XLogP5.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(4-methylphenoxy)methyl]-N-[(2-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 39142612
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46474338
N-(2-amino-2-oxoethyl)-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 56809028
2-amino-N-methyl-2-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120666980
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46536356
N-methyl-2-(4-methylphenyl)-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 47021295
2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55538672
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 134047601
N,4-dimethyl-2-[(4-methylphenoxy)methyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 18114084
N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46003452
N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38259366

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 38076408) is N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)N(C)Cc3ccccc3OC(F)(F)F)cs2)cc1.
What is the InChIKey of N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QZBHMPLJHSZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3S/c1-14-7-9-16(10-8-14)28-12-19-25-17(13-30-19)20(27)26(2)11-15-5-3-4-6-18(15)29-21(22,23)24/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38076408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).