2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

C19H24N4OS — CID 122275764

IUPAC2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C19H24N4OS/c24-18(9-19-6-13-3-14(7-19)5-15(4-13)8-19)20-10-16-11-23(22-21-16)17-1-2-25-12-17/h1-2,11-15H,3-10H2,(H,20,24)
InChIKeyVBQAIJPCWGWCEN-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.55
Rot. Bonds5

About 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275764) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275764
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C19H24N4OS/c24-18(9-19-6-13-3-14(7-19)5-15(4-13)8-19)20-10-16-11-23(22-21-16)17-1-2-25-12-17/h1-2,11-15H,3-10H2,(H,20,24)
InChIKeyVBQAIJPCWGWCEN-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275764) is 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is VBQAIJPCWGWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(9-19-6-13-3-14(7-19)5-15(4-13)8-19)20-10-16-11-23(22-21-16)17-1-2-25-12-17/h1-2,11-15H,3-10H2,(H,20,24).
What are the key properties of 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 356.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).