N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide

C11H10N4OS2 — CID 89104142

IUPACN'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide
SMILESCc1nsc(NNC(=S)C(=O)c2ccccc2)n1
InChIInChI=1S/C11H10N4OS2/c1-7-12-11(18-15-7)14-13-10(17)9(16)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,17)(H,12,14,15)
InChIKeyQLVUKINCSQRAGB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.97
Rot. Bonds4

About N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide

N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide (PubChem CID 89104142) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide.

Molecular Properties

Compound NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide
PubChem CID89104142
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide
SMILESCc1nsc(NNC(=S)C(=O)c2ccccc2)n1
InChIInChI=1S/C11H10N4OS2/c1-7-12-11(18-15-7)14-13-10(17)9(16)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,17)(H,12,14,15)
InChIKeyQLVUKINCSQRAGB-UHFFFAOYSA-N
XLogP1.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide?
The IUPAC name of N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide (CID 89104142) is N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide.
What is the SMILES notation for N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide?
The canonical SMILES for N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide is Cc1nsc(NNC(=S)C(=O)c2ccccc2)n1.
What is the InChIKey of N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide?
The InChIKey is QLVUKINCSQRAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-7-12-11(18-15-7)14-13-10(17)9(16)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,17)(H,12,14,15).
What are the key properties of N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide?
N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide has a molecular weight of 278.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxo-2-phenylethanethiohydrazide is sourced from PubChem (CID 89104142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).