N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide

C10H10N6O2S3 — CID 78294855

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESC=C1N=NC(SCC(=O)Nc2nnc(SCC)s2)=NC1=O
InChIInChI=1S/C10H10N6O2S3/c1-3-19-10-16-15-9(21-10)11-6(17)4-20-8-12-7(18)5(2)13-14-8/h2-4H2,1H3,(H,11,15,17)
InChIKeyRMZABSDYEZGBMK-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.18
Rot. Bonds5

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 78294855) has the molecular formula C10H10N6O2S3 and a molecular weight of 342.43 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID78294855
Molecular FormulaC10H10N6O2S3
Molecular Weight342.43 g/mol
Exact Mass342.00
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESC=C1N=NC(SCC(=O)Nc2nnc(SCC)s2)=NC1=O
InChIInChI=1S/C10H10N6O2S3/c1-3-19-10-16-15-9(21-10)11-6(17)4-20-8-12-7(18)5(2)13-14-8/h2-4H2,1H3,(H,11,15,17)
InChIKeyRMZABSDYEZGBMK-UHFFFAOYSA-N
XLogP2.18
TPSA109.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2701543
N-(3,5-dimethylphenyl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 78208545
2-(cyanomethylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43068920
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17136393
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458211
N-(3,4-dimethylphenyl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 78208572
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)octanamide
CID 3492892
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)dodecanamide
CID 3276028
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)undec-10-enamide
CID 5128441
N-(3-chloro-4-methylphenyl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 78228773

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 78294855) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide is C=C1N=NC(SCC(=O)Nc2nnc(SCC)s2)=NC1=O.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is RMZABSDYEZGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2S3/c1-3-19-10-16-15-9(21-10)11-6(17)4-20-8-12-7(18)5(2)13-14-8/h2-4H2,1H3,(H,11,15,17).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 342.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 78294855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).