S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate

C6H9N3O2S2 — CID 59269770

IUPACS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate
SMILESCON(C)C(=O)Sc1nsc(C)n1
InChIInChI=1S/C6H9N3O2S2/c1-4-7-5(8-13-4)12-6(10)9(2)11-3/h1-3H3
InChIKeyOYMRZKDALVZLGB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.55
Rot. Bonds2

About S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate

S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate (PubChem CID 59269770) has the molecular formula C6H9N3O2S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate
PubChem CID59269770
Molecular FormulaC6H9N3O2S2
Molecular Weight219.29 g/mol
Exact Mass219.01
IUPAC NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate
SMILESCON(C)C(=O)Sc1nsc(C)n1
InChIInChI=1S/C6H9N3O2S2/c1-4-7-5(8-13-4)12-6(10)9(2)11-3/h1-3H3
InChIKeyOYMRZKDALVZLGB-UHFFFAOYSA-N
XLogP1.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate?
The IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate (CID 59269770) is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate.
What is the SMILES notation for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate?
The canonical SMILES for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate is CON(C)C(=O)Sc1nsc(C)n1.
What is the InChIKey of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate?
The InChIKey is OYMRZKDALVZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S2/c1-4-7-5(8-13-4)12-6(10)9(2)11-3/h1-3H3.
What are the key properties of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate?
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate has a molecular weight of 219.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate is sourced from PubChem (CID 59269770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).