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

C23H18N2O3S — CID 18827916

IUPAC2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C23H18N2O3S/c26-14-18-7-2-4-11-21(18)28-15-22(27)25-23-24-13-19(29-23)12-17-9-5-8-16-6-1-3-10-20(16)17/h1-11,13-14H,12,15H2,(H,24,25,27)
InChIKeyPERMNYPLGNXCEG-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.72
Rot. Bonds7

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

2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 18827916) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID18827916
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=Cc1ccccc1OCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C23H18N2O3S/c26-14-18-7-2-4-11-21(18)28-15-22(27)25-23-24-13-19(29-23)12-17-9-5-8-16-6-1-3-10-20(16)17/h1-11,13-14H,12,15H2,(H,24,25,27)
InChIKeyPERMNYPLGNXCEG-UHFFFAOYSA-N
XLogP4.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18836401
2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1371006
2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18836407
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 23822147
N-(5-methyl-1,3-thiazol-2-yl)-2-naphthalen-1-yloxyacetamide
CID 2673025
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18836122
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18827903
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
CID 3928998
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 18827916) is 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is O=Cc1ccccc1OCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1.
What is the InChIKey of 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PERMNYPLGNXCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-14-18-7-2-4-11-21(18)28-15-22(27)25-23-24-13-19(29-23)12-17-9-5-8-16-6-1-3-10-20(16)17/h1-11,13-14H,12,15H2,(H,24,25,27).
What are the key properties of 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18827916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).