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

C15H20N2OS — CID 2836033

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C15H20N2OS/c1-9(18)16-14-17-13(8-19-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H,16,17,18)
InChIKeyQUXPFBZULIGLQK-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.57
Rot. Bonds2

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

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2836033) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2836033
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C15H20N2OS/c1-9(18)16-14-17-13(8-19-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H,16,17,18)
InChIKeyQUXPFBZULIGLQK-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-adamantyl)-N-methyl-1,3-thiazol-2-amine
CID 2872194
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-methyl-oxalamide
CID 2870842
4-(1-Adamantyl)-1,3-thiazol-2-amine
CID 616434
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide
CID 3804410
N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4140053
1-(1-Adamantyl)-3-(4-methylthiazol-2-yl)urea
CID 47103624
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 857960
4-Adamantan-1-ylmethyl-thiazol-2-ylamine
CID 2836061
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-(2-hydroxy-ethyl)-oxalamide
CID 2870696
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide
CID 2870779
4-(1-Adamantyl)-2-aminothiazole hydrochloride
CID 2828153
4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine
CID 2834325

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide (CID 2836033) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QUXPFBZULIGLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9(18)16-14-17-13(8-19-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H,16,17,18).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 276.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2836033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).