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

C17H25N3OS — CID 42597776

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H25N3OS/c1-20(2)9-15(21)19-16-18-14(10-22-16)17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,3-9H2,1-2H3,(H,18,19,21)
InChIKeyBIJKXAOYEVFKIQ-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.11
Rot. Bonds4

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

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide (PubChem CID 42597776) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide
PubChem CID42597776
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H25N3OS/c1-20(2)9-15(21)19-16-18-14(10-22-16)17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,3-9H2,1-2H3,(H,18,19,21)
InChIKeyBIJKXAOYEVFKIQ-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-hexylpropanediamide
CID 3607909
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-undecyloxamide
CID 3122887
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2971008
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19575135
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 24575834
[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoylamino]methyl-triphenylphosphanium
CID 4205633
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-bromo-1-methylpyrazole-3-carboxamide
CID 17020429
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 4768148
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17404336
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24575832
N-[4-[(5S,7S)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 98161330
N-[2-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 24575875

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide (CID 42597776) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide?
The InChIKey is BIJKXAOYEVFKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-20(2)9-15(21)19-16-18-14(10-22-16)17-6-11-3-12(7-17)5-13(4-11)8-17/h10-13H,3-9H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide has a molecular weight of 319.47 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 42597776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).