N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide

C26H28N2O2S — CID 23761117

IUPACN-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C26H28N2O2S/c29-24(15-30-23-6-5-20-3-1-2-4-21(20)10-23)28-25-27-22(16-31-25)14-26-11-17-7-18(12-26)9-19(8-17)13-26/h1-6,10,16-19H,7-9,11-15H2,(H,27,28,29)
InChIKeyXLLNZDBONFUOFV-UHFFFAOYSA-N
MW432.59 g/mol
LogP6.07
Rot. Bonds6

About N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide

N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 23761117) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID23761117
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C26H28N2O2S/c29-24(15-30-23-6-5-20-3-1-2-4-21(20)10-23)28-25-27-22(16-31-25)14-26-11-17-7-18(12-26)9-19(8-17)13-26/h1-6,10,16-19H,7-9,11-15H2,(H,27,28,29)
InChIKeyXLLNZDBONFUOFV-UHFFFAOYSA-N
XLogP6.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 23798816
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 23742184
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
N-[4-[(5S,7S)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 98161330
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695749
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 7583100
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33166774

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide (CID 23761117) is N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is XLLNZDBONFUOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c29-24(15-30-23-6-5-20-3-1-2-4-21(20)10-23)28-25-27-22(16-31-25)14-26-11-17-7-18(12-26)9-19(8-17)13-26/h1-6,10,16-19H,7-9,11-15H2,(H,27,28,29).
What are the key properties of N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 432.59 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 23761117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).