N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide

C19H16ClFN2O2S — CID 71795605

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-17(26-19(23-12)15-4-2-3-5-16(15)20)10-22-18(24)11-25-14-8-6-13(21)7-9-14/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyHDTYKSCPEYJPOR-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.61
Rot. Bonds6

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 71795605) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID71795605
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-17(26-19(23-12)15-4-2-3-5-16(15)20)10-22-18(24)11-25-14-8-6-13(21)7-9-14/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyHDTYKSCPEYJPOR-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
2-(4-chlorophenoxy)-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7216597
2-(4-chlorophenoxy)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7522124
2-(3-chlorophenoxy)-N-(1-((2-(4-chlorophenyl)thiazol-4-yl)methyl)piperidin-4-yl)acetamide
CID 44562479
N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 56640961
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7518480
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-N'-(4-methoxyphenyl)ethanediamide
CID 16034616
2-(4-chlorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2980128
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-(4-ethoxyphenyl)acetamide
CID 7216569
N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 7287513
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 7522123

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide (CID 71795605) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is HDTYKSCPEYJPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-12-17(26-19(23-12)15-4-2-3-5-16(15)20)10-22-18(24)11-25-14-8-6-13(21)7-9-14/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 390.87 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 71795605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).