N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide

C26H34N2OS — CID 11560872

IUPACN-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCCCCC(C)c1sc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1
InChIInChI=1S/C26H34N2OS/c1-3-4-8-17(2)23-22(21-9-6-5-7-10-21)27-25(30-23)24(29)28-26-14-18-11-19(15-26)13-20(12-18)16-26/h5-7,9-10,17-20H,3-4,8,11-16H2,1-2H3,(H,28,29)
InChIKeyAZMBHZYAEBZXPH-UHFFFAOYSA-N
MW422.64 g/mol
LogP6.80
Rot. Bonds7

About N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide

N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 11560872) has the molecular formula C26H34N2OS and a molecular weight of 422.64 g/mol. Its IUPAC name is N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide
PubChem CID11560872
Molecular FormulaC26H34N2OS
Molecular Weight422.64 g/mol
Exact Mass422.24
IUPAC NameN-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCCCCC(C)c1sc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1
InChIInChI=1S/C26H34N2OS/c1-3-4-8-17(2)23-22(21-9-6-5-7-10-21)27-25(30-23)24(29)28-26-14-18-11-19(15-26)13-20(12-18)16-26/h5-7,9-10,17-20H,3-4,8,11-16H2,1-2H3,(H,28,29)
InChIKeyAZMBHZYAEBZXPH-UHFFFAOYSA-N
XLogP6.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.64
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide
CID 5177534
(2R)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40584781
(2S)-N-(1-adamantyl)-2-phenoxybutanamide
CID 40579727
N-[1-(1-adamantylamino)-1-oxopropan-2-yl]benzamide
CID 146122763
3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 5006831
N-(1-adamantyl)-3,4-dipentoxybenzamide
CID 44759498
1-(1-adamantyl)-3-(4-hydroxydecyl)urea
CID 11772500
N-(1-adamantyl)hexanamide
CID 4687392
N-(1-adamantyl)-1-(5-chloropentyl)-5-phenylpyrazole-3-carboxamide
CID 21064877
N-[1-[5-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 6495253
N-[(1S)-1-[5-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 41007960
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7555677

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide (CID 11560872) is N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide is CCCCC(C)c1sc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1.
What is the InChIKey of N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is AZMBHZYAEBZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2OS/c1-3-4-8-17(2)23-22(21-9-6-5-7-10-21)27-25(30-23)24(29)28-26-14-18-11-19(15-26)13-20(12-18)16-26/h5-7,9-10,17-20H,3-4,8,11-16H2,1-2H3,(H,28,29).
What are the key properties of N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide?
N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 422.64 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 11560872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).