N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C17H21N5OS — CID 17458846

IUPACN-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccn2n1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21N5OS/c23-14(10-24-16-19-15-18-2-1-3-22(15)21-16)20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H,20,23)
InChIKeyDUCDXGPKHIHXEG-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.30
Rot. Bonds4

About N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 17458846) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID17458846
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccn2n1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21N5OS/c23-14(10-24-16-19-15-18-2-1-3-22(15)21-16)20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H,20,23)
InChIKeyDUCDXGPKHIHXEG-UHFFFAOYSA-N
XLogP2.30
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 17458846) is N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is O=C(CSc1nc2ncccn2n1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is DUCDXGPKHIHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-14(10-24-16-19-15-18-2-1-3-22(15)21-16)20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H,20,23).
What are the key properties of N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 343.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 17458846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).