2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

C22H17ClN2O2S — CID 1371006

IUPAC2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C22H17ClN2O2S/c23-17-8-10-18(11-9-17)27-14-21(26)25-22-24-13-19(28-22)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-11,13H,12,14H2,(H,24,25,26)
InChIKeyQZWFICQQOXXIST-UHFFFAOYSA-N
MW408.91 g/mol
LogP5.56
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1371006) has the molecular formula C22H17ClN2O2S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1371006
Molecular FormulaC22H17ClN2O2S
Molecular Weight408.91 g/mol
Exact Mass408.07
IUPAC Name2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C22H17ClN2O2S/c23-17-8-10-18(11-9-17)27-14-21(26)25-22-24-13-19(28-22)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-11,13H,12,14H2,(H,24,25,26)
InChIKeyQZWFICQQOXXIST-UHFFFAOYSA-N
XLogP5.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18836407
2-(2-ethoxyphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18836401
2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18827916
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
2-(4-acetylphenoxy)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836322
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 23822147
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 1371006) is 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cccc3ccccc23)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QZWFICQQOXXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2S/c23-17-8-10-18(11-9-17)27-14-21(26)25-22-24-13-19(28-22)12-16-6-3-5-15-4-1-2-7-20(15)16/h1-11,13H,12,14H2,(H,24,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 408.91 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1371006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).