N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide

C22H26N2OS — CID 78869634

IUPACN-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H26N2OS/c25-20(24-22-17-7-15-6-16(9-17)10-18(22)8-15)12-19-13-26-21(23-19)11-14-4-2-1-3-5-14/h1-5,13,15-18,22H,6-12H2,(H,24,25)
InChIKeyJUGFQYOQSHMSFJ-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.22
Rot. Bonds5

About N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide

N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide (PubChem CID 78869634) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
PubChem CID78869634
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC NameN-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H26N2OS/c25-20(24-22-17-7-15-6-16(9-17)10-18(22)8-15)12-19-13-26-21(23-19)11-14-4-2-1-3-5-14/h1-5,13,15-18,22H,6-12H2,(H,24,25)
InChIKeyJUGFQYOQSHMSFJ-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 38706195
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556470
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide
CID 118780727
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 38858056
2-[4-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39944903
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119544059

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide (CID 78869634) is N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(Cc2ccccc2)n1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JUGFQYOQSHMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c25-20(24-22-17-7-15-6-16(9-17)10-18(22)8-15)12-19-13-26-21(23-19)11-14-4-2-1-3-5-14/h1-5,13,15-18,22H,6-12H2,(H,24,25).
What are the key properties of N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 366.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 78869634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).