methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane

C5H7IN2S — CID 89071553

IUPACmethyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane
SMILESC/I=C/c1nc(C)ns1
InChIInChI=1S/C5H7IN2S/c1-4-7-5(3-6-2)9-8-4/h3H,1-2H3
InChIKeyGJTYKTMIQNRNGE-UHFFFAOYSA-N
MW254.10 g/mol
LogP1.60
Rot. Bonds1

About methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane

methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane (PubChem CID 89071553) has the molecular formula C5H7IN2S and a molecular weight of 254.10 g/mol. Its IUPAC name is methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane.

Molecular Properties

Compound Namemethyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane
PubChem CID89071553
Molecular FormulaC5H7IN2S
Molecular Weight254.10 g/mol
Exact Mass253.94
IUPAC Namemethyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane
SMILESC/I=C/c1nc(C)ns1
InChIInChI=1S/C5H7IN2S/c1-4-7-5(3-6-2)9-8-4/h3H,1-2H3
InChIKeyGJTYKTMIQNRNGE-UHFFFAOYSA-N
XLogP1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane?
The IUPAC name of methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane (CID 89071553) is methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane.
What is the SMILES notation for methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane?
The canonical SMILES for methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane is C/I=C/c1nc(C)ns1.
What is the InChIKey of methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane?
The InChIKey is GJTYKTMIQNRNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2S/c1-4-7-5(3-6-2)9-8-4/h3H,1-2H3.
What are the key properties of methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane?
methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane has a molecular weight of 254.10 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]-λ3-iodane is sourced from PubChem (CID 89071553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).