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

C20H19ClN2O3S — CID 19197427

IUPACN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-25-16-7-9-17(10-8-16)26-12-18(24)22-20-23-19(13(2)27-20)14-5-4-6-15(21)11-14/h4-11H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyLZUMDQSSSCLYEG-UHFFFAOYSA-N
MW402.90 g/mol
LogP5.19
Rot. Bonds7

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

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 19197427) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID19197427
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-25-16-7-9-17(10-8-16)26-12-18(24)22-20-23-19(13(2)27-20)14-5-4-6-15(21)11-14/h4-11H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyLZUMDQSSSCLYEG-UHFFFAOYSA-N
XLogP5.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.90
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 19195112
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19228036
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide (CID 19197427) is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is LZUMDQSSSCLYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-3-25-16-7-9-17(10-8-16)26-12-18(24)22-20-23-19(13(2)27-20)14-5-4-6-15(21)11-14/h4-11H,3,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide?
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 402.90 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 19197427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).