2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

C20H18ClFN2O3S — CID 46536356

IUPAC2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClFN2O3S/c1-24(10-11-26-18-5-3-2-4-16(18)22)20(25)17-13-28-19(23-17)12-27-15-8-6-14(21)7-9-15/h2-9,13H,10-12H2,1H3
InChIKeyYYABLAIAHDYHES-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.67
Rot. Bonds8

About 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46536356) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID46536356
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClFN2O3S/c1-24(10-11-26-18-5-3-2-4-16(18)22)20(25)17-13-28-19(23-17)12-27-15-8-6-14(21)7-9-15/h2-9,13H,10-12H2,1H3
InChIKeyYYABLAIAHDYHES-UHFFFAOYSA-N
XLogP4.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-methyl-N-(3-phenoxypropyl)-1,3-thiazole-4-carboxamide
CID 55654397
2-(2-aminoethyl)-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618974
2-[(4-chlorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55538672
2-[(4-chlorophenoxy)methyl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55953733
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66376486
methyl 2-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580661
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618211
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46474338
2-[(4-chlorophenoxy)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 56509311
2-(2-aminoethyl)-N-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568
2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 46586534

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 46536356) is 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CCOc1ccccc1F)C(=O)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YYABLAIAHDYHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c1-24(10-11-26-18-5-3-2-4-16(18)22)20(25)17-13-28-19(23-17)12-27-15-8-6-14(21)7-9-15/h2-9,13H,10-12H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 420.89 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46536356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).