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

C6H9N3OS2 — CID 59269030

IUPACS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate
SMILESCc1nc(SC(=O)N(C)C)ns1
InChIInChI=1S/C6H9N3OS2/c1-4-7-5(8-12-4)11-6(10)9(2)3/h1-3H3
InChIKeyZIPRIACPXYRUEJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.62
Rot. Bonds1

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

S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate (PubChem CID 59269030) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate
PubChem CID59269030
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate
SMILESCc1nc(SC(=O)N(C)C)ns1
InChIInChI=1S/C6H9N3OS2/c1-4-7-5(8-12-4)11-6(10)9(2)3/h1-3H3
InChIKeyZIPRIACPXYRUEJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-(5-methyl-1,2,4-thiadiazol-3-yl) 2-methylaziridine-1-carbothioate
CID 59269096
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate
CID 59269141
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] carbamothioate
CID 59269151
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-diethylcarbamothioate
CID 59269161
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methylcarbamothioate
CID 59269163
S-(5-methyl-1,2,4-thiadiazol-3-yl) azetidine-1-carbothioate
CID 59269175
S-(5-methyl-1,2,4-thiadiazol-3-yl) pyrrolidine-1-carbothioate
CID 59269187
S-(5-methyl-1,2,4-thiadiazol-3-yl) ethanethioate
CID 59269331
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate
CID 59269726
S-(5-methyl-1,2,4-thiadiazol-3-yl) aziridine-1-carbothioate
CID 59269729
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-propylcarbamothioate
CID 59269755
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-methoxy-N-methylcarbamothioate
CID 59269770

Frequently Asked Questions

What is the IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate?
The IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate (CID 59269030) is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate.
What is the SMILES notation for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate?
The canonical SMILES for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate is Cc1nc(SC(=O)N(C)C)ns1.
What is the InChIKey of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate?
The InChIKey is ZIPRIACPXYRUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c1-4-7-5(8-12-4)11-6(10)9(2)3/h1-3H3.
What are the key properties of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate?
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-dimethylcarbamothioate has a molecular weight of 203.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 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,N-dimethylcarbamothioate is sourced from PubChem (CID 59269030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).