N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide

C20H19F2N3O2S — CID 24593893

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C20H19F2N3O2S/c1-25(9-10-27-15-5-3-2-4-6-15)12-19(26)24-20-23-18(13-28-20)16-11-14(21)7-8-17(16)22/h2-8,11,13H,9-10,12H2,1H3,(H,23,24,26)
InChIKeyZWJQTBJBHWPUKC-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.04
Rot. Bonds8

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 24593893) has the molecular formula C20H19F2N3O2S and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID24593893
Molecular FormulaC20H19F2N3O2S
Molecular Weight403.45 g/mol
Exact Mass403.12
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCN(CCOc1ccccc1)CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C20H19F2N3O2S/c1-25(9-10-27-15-5-3-2-4-6-15)12-19(26)24-20-23-18(13-28-20)16-11-14(21)7-8-17(16)22/h2-8,11,13H,9-10,12H2,1H3,(H,23,24,26)
InChIKeyZWJQTBJBHWPUKC-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 55846895
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 8839185
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2093950
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 24594995
N-(2-chloro-4-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797671
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 16961838
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34807215

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 24593893) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide is CN(CCOc1ccccc1)CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is ZWJQTBJBHWPUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2S/c1-25(9-10-27-15-5-3-2-4-6-15)12-19(26)24-20-23-18(13-28-20)16-11-14(21)7-8-17(16)22/h2-8,11,13H,9-10,12H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 403.45 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 24593893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).