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

C5H7N3OS2 — CID 59269163

IUPACS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate
SMILESCNC(=O)Sc1nsc(C)n1
InChIInChI=1S/C5H7N3OS2/c1-3-7-4(8-11-3)10-5(9)6-2/h1-2H3,(H,6,9)
InChIKeyCUUQAKRDJFOLDR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.28
Rot. Bonds1

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

S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate (PubChem CID 59269163) has the molecular formula C5H7N3OS2 and a molecular weight of 189.26 g/mol. Its IUPAC name is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate
PubChem CID59269163
Molecular FormulaC5H7N3OS2
Molecular Weight189.26 g/mol
Exact Mass189.00
IUPAC NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate
SMILESCNC(=O)Sc1nsc(C)n1
InChIInChI=1S/C5H7N3OS2/c1-3-7-4(8-11-3)10-5(9)6-2/h1-2H3,(H,6,9)
InChIKeyCUUQAKRDJFOLDR-UHFFFAOYSA-N
XLogP1.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-methylcarbamothioate?
The IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate (CID 59269163) is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate.
What is the SMILES notation for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate?
The canonical SMILES for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate is CNC(=O)Sc1nsc(C)n1.
What is the InChIKey of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate?
The InChIKey is CUUQAKRDJFOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS2/c1-3-7-4(8-11-3)10-5(9)6-2/h1-2H3,(H,6,9).
What are the key properties of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate?
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate has a molecular weight of 189.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate is sourced from PubChem (CID 59269163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).