N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

C6H10N4O2S — CID 175515962

IUPACN-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(=O)NCC(O)c1nc(=S)[nH][nH]1
InChIInChI=1S/C6H10N4O2S/c1-3(11)7-2-4(12)5-8-6(13)10-9-5/h4,12H,2H2,1H3,(H,7,11)(H2,8,9,10,13)
InChIKeyAFWBBRFKRHQSGT-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.36
Rot. Bonds3

About N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 175515962) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID175515962
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC NameN-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(=O)NCC(O)c1nc(=S)[nH][nH]1
InChIInChI=1S/C6H10N4O2S/c1-3(11)7-2-4(12)5-8-6(13)10-9-5/h4,12H,2H2,1H3,(H,7,11)(H2,8,9,10,13)
InChIKeyAFWBBRFKRHQSGT-UHFFFAOYSA-N
XLogP-0.36
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (CID 175515962) is N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is CC(=O)NCC(O)c1nc(=S)[nH][nH]1.
What is the InChIKey of N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is AFWBBRFKRHQSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-3(11)7-2-4(12)5-8-6(13)10-9-5/h4,12H,2H2,1H3,(H,7,11)(H2,8,9,10,13).
What are the key properties of N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 202.24 g/mol, XLogP of -0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 175515962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).