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

C26H26N2O2S — CID 18836407

IUPAC2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1
InChIInChI=1S/C26H26N2O2S/c1-26(2,3)20-11-13-21(14-12-20)30-17-24(29)28-25-27-16-22(31-25)15-19-9-6-8-18-7-4-5-10-23(18)19/h4-14,16H,15,17H2,1-3H3,(H,27,28,29)
InChIKeyKBZAPPVPEDZENV-UHFFFAOYSA-N
MW430.57 g/mol
LogP6.20
Rot. Bonds6

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

2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 18836407) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID18836407
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1
InChIInChI=1S/C26H26N2O2S/c1-26(2,3)20-11-13-21(14-12-20)30-17-24(29)28-25-27-16-22(31-25)15-19-9-6-8-18-7-4-5-10-23(18)19/h4-14,16H,15,17H2,1-3H3,(H,27,28,29)
InChIKeyKBZAPPVPEDZENV-UHFFFAOYSA-N
XLogP6.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1371006
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
2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836221
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 23822147
2-(4-acetylphenoxy)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836322
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178619
2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
N-(5-methyl-1,3-thiazol-2-yl)-2-naphthalen-1-yloxyacetamide
CID 2673025

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 18836407) is 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KBZAPPVPEDZENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-26(2,3)20-11-13-21(14-12-20)30-17-24(29)28-25-27-16-22(31-25)15-19-9-6-8-18-7-4-5-10-23(18)19/h4-14,16H,15,17H2,1-3H3,(H,27,28,29).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18836407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).