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

C20H18ClF2N3O2S — CID 16565427

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C20H18ClF2N3O2S/c1-26(8-9-28-15-5-3-14(21)4-6-15)11-19(27)25-20-24-18(12-29-20)13-2-7-16(22)17(23)10-13/h2-7,10,12H,8-9,11H2,1H3,(H,24,25,27)
InChIKeyAXEZZUQMXJRARH-UHFFFAOYSA-N
MW437.90 g/mol
LogP4.69
Rot. Bonds8

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

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16565427) has the molecular formula C20H18ClF2N3O2S and a molecular weight of 437.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16565427
Molecular FormulaC20H18ClF2N3O2S
Molecular Weight437.90 g/mol
Exact Mass437.08
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C20H18ClF2N3O2S/c1-26(8-9-28-15-5-3-14(21)4-6-15)11-19(27)25-20-24-18(12-29-20)13-2-7-16(22)17(23)10-13/h2-7,10,12H,8-9,11H2,1H3,(H,24,25,27)
InChIKeyAXEZZUQMXJRARH-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2481850
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 24593893
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 26307182
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 55846895
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26372211
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 16961838
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26429633
4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197145
2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 5162606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 16565427) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AXEZZUQMXJRARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2S/c1-26(8-9-28-15-5-3-14(21)4-6-15)11-19(27)25-20-24-18(12-29-20)13-2-7-16(22)17(23)10-13/h2-7,10,12H,8-9,11H2,1H3,(H,24,25,27).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 437.90 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16565427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).