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

C16H22N2OS — CID 4812528

IUPAC2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H22N2OS/c1-10-9-17-15(20-10)18-14(19)8-16-5-11-2-12(6-16)4-13(3-11)7-16/h9,11-13H,2-8H2,1H3,(H,17,18,19)
InChIKeyQJWSCZOSXDEPRZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.00
Rot. Bonds3

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

2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4812528) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4812528
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H22N2OS/c1-10-9-17-15(20-10)18-14(19)8-16-5-11-2-12(6-16)4-13(3-11)7-16/h9,11-13H,2-8H2,1H3,(H,17,18,19)
InChIKeyQJWSCZOSXDEPRZ-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.00
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-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 4812528) is 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QJWSCZOSXDEPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-9-17-15(20-10)18-14(19)8-16-5-11-2-12(6-16)4-13(3-11)7-16/h9,11-13H,2-8H2,1H3,(H,17,18,19).
What are the key properties of 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 290.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4812528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).