N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide

C6H10N4OS — CID 21331059

IUPACN,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESCN(C)C(=O)Cc1nc(=S)[nH][nH]1
InChIInChI=1S/C6H10N4OS/c1-10(2)5(11)3-4-7-6(12)9-8-4/h3H2,1-2H3,(H2,7,8,9,12)
InChIKeyWKMVLTAIWUDJEW-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.10
Rot. Bonds2

About N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide

N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide (PubChem CID 21331059) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide
PubChem CID21331059
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC NameN,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide
SMILESCN(C)C(=O)Cc1nc(=S)[nH][nH]1
InChIInChI=1S/C6H10N4OS/c1-10(2)5(11)3-4-7-6(12)9-8-4/h3H2,1-2H3,(H2,7,8,9,12)
InChIKeyWKMVLTAIWUDJEW-UHFFFAOYSA-N
XLogP0.10
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide (CID 21331059) is N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide is CN(C)C(=O)Cc1nc(=S)[nH][nH]1.
What is the InChIKey of N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WKMVLTAIWUDJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-10(2)5(11)3-4-7-6(12)9-8-4/h3H2,1-2H3,(H2,7,8,9,12).
What are the key properties of N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide?
N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide has a molecular weight of 186.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 21331059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).