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

C6H9N3OS2 — CID 59269726

IUPACS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate
SMILESCCNC(=O)Sc1nsc(C)n1
InChIInChI=1S/C6H9N3OS2/c1-3-7-6(10)11-5-8-4(2)12-9-5/h3H2,1-2H3,(H,7,10)
InChIKeyGWYOENSEOBPSIX-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.67
Rot. Bonds2

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

S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate (PubChem CID 59269726) 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-ethylcarbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate
PubChem CID59269726
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate
SMILESCCNC(=O)Sc1nsc(C)n1
InChIInChI=1S/C6H9N3OS2/c1-3-7-6(10)11-5-8-4(2)12-9-5/h3H2,1-2H3,(H,7,10)
InChIKeyGWYOENSEOBPSIX-UHFFFAOYSA-N
XLogP1.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
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)] N,N-dimethylcarbamothioate
CID 59269030
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)] N-(2-methylprop-2-enyl)carbamothioate
CID 59269233
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-but-3-enylcarbamothioate
CID 59269351
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-prop-2-enylcarbamothioate
CID 59269722
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

Frequently Asked Questions

What is the IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate?
The IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate (CID 59269726) is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate.
What is the SMILES notation for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate?
The canonical SMILES for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate is CCNC(=O)Sc1nsc(C)n1.
What is the InChIKey of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate?
The InChIKey is GWYOENSEOBPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c1-3-7-6(10)11-5-8-4(2)12-9-5/h3H2,1-2H3,(H,7,10).
What are the key properties of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate?
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate has a molecular weight of 203.29 g/mol, XLogP of 1.67, 2 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-ethylcarbamothioate is sourced from PubChem (CID 59269726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).