2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

C4H6N4OS — CID 83768040

IUPAC2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CS)Nc1ncn[nH]1
InChIInChI=1S/C4H6N4OS/c9-3(1-10)7-4-5-2-6-8-4/h2,10H,1H2,(H2,5,6,7,8,9)
InChIKeyOSZNKVWNWWFKAV-UHFFFAOYSA-N
MW158.19 g/mol
LogP-0.33
Rot. Bonds2

About 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83768040) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83768040
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CS)Nc1ncn[nH]1
InChIInChI=1S/C4H6N4OS/c9-3(1-10)7-4-5-2-6-8-4/h2,10H,1H2,(H2,5,6,7,8,9)
InChIKeyOSZNKVWNWWFKAV-UHFFFAOYSA-N
XLogP-0.33
TPSA70.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 83768040) is 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CS)Nc1ncn[nH]1.
What is the InChIKey of 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is OSZNKVWNWWFKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c9-3(1-10)7-4-5-2-6-8-4/h2,10H,1H2,(H2,5,6,7,8,9).
What are the key properties of 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 158.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83768040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).