N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide

C21H22FN3O3S — CID 55846895

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
SMILESCOc1ccccc1OCCN(C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H22FN3O3S/c1-25(11-12-28-19-6-4-3-5-18(19)27-2)13-20(26)24-21-23-17(14-29-21)15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,23,24,26)
InChIKeyLBOYWMLTMOIKSR-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.91
Rot. Bonds9

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide (PubChem CID 55846895) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
PubChem CID55846895
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
SMILESCOc1ccccc1OCCN(C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H22FN3O3S/c1-25(11-12-28-19-6-4-3-5-18(19)27-2)13-20(26)24-21-23-17(14-29-21)15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,23,24,26)
InChIKeyLBOYWMLTMOIKSR-UHFFFAOYSA-N
XLogP3.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 24593893
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16565427
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35964926
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-nitrophenoxy)butanamide
CID 84560881
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide (CID 55846895) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide is COc1ccccc1OCCN(C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide?
The InChIKey is LBOYWMLTMOIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-25(11-12-28-19-6-4-3-5-18(19)27-2)13-20(26)24-21-23-17(14-29-21)15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,23,24,26).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 55846895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).