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

C28H30N2OS — CID 108770065

IUPAC2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cs1
InChIInChI=1S/C28H30N2OS/c1-18-4-2-3-5-24(18)27-30-25(17-32-27)22-6-8-23(9-7-22)29-26(31)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,17,19-21H,10-16H2,1H3,(H,29,31)
InChIKeyQXEIEKHBAADXMZ-UHFFFAOYSA-N
MW442.63 g/mol
LogP7.33
Rot. Bonds5

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

2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 108770065) has the molecular formula C28H30N2OS and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID108770065
Molecular FormulaC28H30N2OS
Molecular Weight442.63 g/mol
Exact Mass442.21
IUPAC Name2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccccc1-c1nc(-c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cs1
InChIInChI=1S/C28H30N2OS/c1-18-4-2-3-5-24(18)27-30-25(17-32-27)22-6-8-23(9-7-22)29-26(31)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,17,19-21H,10-16H2,1H3,(H,29,31)
InChIKeyQXEIEKHBAADXMZ-UHFFFAOYSA-N
XLogP7.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
CID 108770118
2-(1-adamantyl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 122284090
N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
CID 108748009
2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770123
5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 108748108
2-(1-adamantyl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297738
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748089
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 108770065) is 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is Cc1ccccc1-c1nc(-c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cs1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is QXEIEKHBAADXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2OS/c1-18-4-2-3-5-24(18)27-30-25(17-32-27)22-6-8-23(9-7-22)29-26(31)16-28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,17,19-21H,10-16H2,1H3,(H,29,31).
What are the key properties of 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 442.63 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 108770065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).