2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C19H22ClF3N2O2S — CID 56531190

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H22ClF3N2O2S/c1-18(2,3)11-25(12-19(21,22)23)17(26)8-14-10-28-16(24-14)9-27-15-6-4-13(20)5-7-15/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyNFGNGSICIWOEJC-UHFFFAOYSA-N
MW434.91 g/mol
LogP5.36
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56531190) has the molecular formula C19H22ClF3N2O2S and a molecular weight of 434.91 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56531190
Molecular FormulaC19H22ClF3N2O2S
Molecular Weight434.91 g/mol
Exact Mass434.10
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)CN(CC(F)(F)F)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H22ClF3N2O2S/c1-18(2,3)11-25(12-19(21,22)23)17(26)8-14-10-28-16(24-14)9-27-15-6-4-13(20)5-7-15/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyNFGNGSICIWOEJC-UHFFFAOYSA-N
XLogP5.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.91
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 18272289
N-(1-aminopropan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584983
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24524635
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 47018873
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119444328
3-tert-butyl-1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(2-methylpropyl)urea
CID 46009621
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119608769
3-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
ethyl 4-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 27285649
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 56531190) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)CN(CC(F)(F)F)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NFGNGSICIWOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N2O2S/c1-18(2,3)11-25(12-19(21,22)23)17(26)8-14-10-28-16(24-14)9-27-15-6-4-13(20)5-7-15/h4-7,10H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 434.91 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56531190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).