2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H10N4OS — CID 47138007

IUPAC2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESNC(=O)C(Sc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C10H10N4OS/c11-9(15)8(7-4-2-1-3-5-7)16-10-12-6-13-14-10/h1-6,8H,(H2,11,15)(H,12,13,14)
InChIKeyAOHGBERZXPPBPJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.12
Rot. Bonds4

About 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 47138007) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID47138007
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESNC(=O)C(Sc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C10H10N4OS/c11-9(15)8(7-4-2-1-3-5-7)16-10-12-6-13-14-10/h1-6,8H,(H2,11,15)(H,12,13,14)
InChIKeyAOHGBERZXPPBPJ-UHFFFAOYSA-N
XLogP1.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 47138007) is 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is NC(=O)C(Sc1ncn[nH]1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is AOHGBERZXPPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-9(15)8(7-4-2-1-3-5-7)16-10-12-6-13-14-10/h1-6,8H,(H2,11,15)(H,12,13,14).
What are the key properties of 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 234.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 47138007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).