N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C14H19N3OS2 — CID 112786540

IUPACN-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19N3OS2/c18-12(6-19-14-17-15-7-20-14)16-13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13H,1-6H2,(H,16,18)
InChIKeyUMLGAORRHYXHIE-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.57
Rot. Bonds4

About N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 112786540) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID112786540
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC NameN-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H19N3OS2/c18-12(6-19-14-17-15-7-20-14)16-13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13H,1-6H2,(H,16,18)
InChIKeyUMLGAORRHYXHIE-UHFFFAOYSA-N
XLogP2.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 112786540) is N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is UMLGAORRHYXHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c18-12(6-19-14-17-15-7-20-14)16-13-10-2-8-1-9(4-10)5-11(13)3-8/h7-11,13H,1-6H2,(H,16,18).
What are the key properties of N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 309.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 112786540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).