S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate

C10H15N3O2S2 — CID 59269545

IUPACS-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate
SMILESCc1nc(SC(=O)N2CC(C)OC(C)C2)ns1
InChIInChI=1S/C10H15N3O2S2/c1-6-4-13(5-7(2)15-6)10(14)16-9-11-8(3)17-12-9/h6-7H,4-5H2,1-3H3
InChIKeyHFZLYYZKVQEEGN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.17
Rot. Bonds1

About S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate

S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate (PubChem CID 59269545) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate.

Molecular Properties

Compound NameS-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate
PubChem CID59269545
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC NameS-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate
SMILESCc1nc(SC(=O)N2CC(C)OC(C)C2)ns1
InChIInChI=1S/C10H15N3O2S2/c1-6-4-13(5-7(2)15-6)10(14)16-9-11-8(3)17-12-9/h6-7H,4-5H2,1-3H3
InChIKeyHFZLYYZKVQEEGN-UHFFFAOYSA-N
XLogP2.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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) 2,6-dimethylmorpholine-4-carbothioate?
The IUPAC name of S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate (CID 59269545) is S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate.
What is the SMILES notation for S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate?
The canonical SMILES for S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate is Cc1nc(SC(=O)N2CC(C)OC(C)C2)ns1.
What is the InChIKey of S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate?
The InChIKey is HFZLYYZKVQEEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-6-4-13(5-7(2)15-6)10(14)16-9-11-8(3)17-12-9/h6-7H,4-5H2,1-3H3.
What are the key properties of S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate?
S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,6-dimethylmorpholine-4-carbothioate has a molecular weight of 273.38 g/mol, XLogP of 2.17, 1 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) 2,6-dimethylmorpholine-4-carbothioate is sourced from PubChem (CID 59269545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).