N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C23H28N2O2S — CID 26659402

IUPACN-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C23H28N2O2S/c26-22(19-1-3-21(4-2-19)27-13-20-14-28-15-25-20)24-6-5-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-4,14-18H,5-13H2,(H,24,26)
InChIKeyMJWZTECECHKESV-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.06
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 26659402) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID26659402
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C23H28N2O2S/c26-22(19-1-3-21(4-2-19)27-13-20-14-28-15-25-20)24-6-5-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-4,14-18H,5-13H2,(H,24,26)
InChIKeyMJWZTECECHKESV-UHFFFAOYSA-N
XLogP5.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 9265982
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2365365
4-butoxy-N-{2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7119210
4-butoxy-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7216635
4-ethoxy-N-{2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7287491
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 9463652
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 16323475
4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 24791823
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 24817526
3-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42682542
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)benzamide
CID 46009265
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 16312562

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 26659402) is N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is MJWZTECECHKESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c26-22(19-1-3-21(4-2-19)27-13-20-14-28-15-25-20)24-6-5-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-4,14-18H,5-13H2,(H,24,26).
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 396.56 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 26659402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).