2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide

C22H26N2OS — CID 4921109

IUPAC2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc1-c1ccccc1
InChIInChI=1S/C22H26N2OS/c1-14-20(18-5-3-2-4-6-18)26-21(23-14)24-19(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3,(H,23,24,25)
InChIKeyODURBKPNOGNBMO-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.66
Rot. Bonds4

About 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide

2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4921109) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID4921109
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc1-c1ccccc1
InChIInChI=1S/C22H26N2OS/c1-14-20(18-5-3-2-4-6-18)26-21(23-14)24-19(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3,(H,23,24,25)
InChIKeyODURBKPNOGNBMO-UHFFFAOYSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide (CID 4921109) is 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc1-c1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ODURBKPNOGNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-14-20(18-5-3-2-4-6-18)26-21(23-14)24-19(25)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3,(H,23,24,25).
What are the key properties of 2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 366.53 g/mol, XLogP of 5.66, 4 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-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4921109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).