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

C23H28N2O2S — CID 78824441

IUPACN-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC3C4CC5CC(C4)CC3C5)cs2)cc1
InChIInChI=1S/C23H28N2O2S/c1-14-2-4-20(5-3-14)27-12-22-24-19(13-28-22)11-21(26)25-23-17-7-15-6-16(9-17)10-18(23)8-15/h2-5,13,15-18,23H,6-12H2,1H3,(H,25,26)
InChIKeyQVSWGFOLHKDUBO-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.51
Rot. Bonds6

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

N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 78824441) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID78824441
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC3C4CC5CC(C4)CC3C5)cs2)cc1
InChIInChI=1S/C23H28N2O2S/c1-14-2-4-20(5-3-14)27-12-22-24-19(13-28-22)11-21(26)25-23-17-7-15-6-16(9-17)10-18(23)8-15/h2-5,13,15-18,23H,6-12H2,1H3,(H,25,26)
InChIKeyQVSWGFOLHKDUBO-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 78824441) is N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)NC3C4CC5CC(C4)CC3C5)cs2)cc1.
What is the InChIKey of N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is QVSWGFOLHKDUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-14-2-4-20(5-3-14)27-12-22-24-19(13-28-22)11-21(26)25-23-17-7-15-6-16(9-17)10-18(23)8-15/h2-5,13,15-18,23H,6-12H2,1H3,(H,25,26).
What are the key properties of N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 396.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 78824441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).