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

C7H11N3OS2 — CID 59269141

IUPACS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate
SMILESCCN(C)C(=O)Sc1nsc(C)n1
InChIInChI=1S/C7H11N3OS2/c1-4-10(3)7(11)12-6-8-5(2)13-9-6/h4H2,1-3H3
InChIKeyLYFHJVHFQKXPDP-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.01
Rot. Bonds2

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

S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate (PubChem CID 59269141) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate.

Molecular Properties

Compound NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate
PubChem CID59269141
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC NameS-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate
SMILESCCN(C)C(=O)Sc1nsc(C)n1
InChIInChI=1S/C7H11N3OS2/c1-4-10(3)7(11)12-6-8-5(2)13-9-6/h4H2,1-3H3
InChIKeyLYFHJVHFQKXPDP-UHFFFAOYSA-N
XLogP2.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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) piperidine-1-carbothioate
CID 59269052
S-(5-methyl-1,2,4-thiadiazol-3-yl) 2-methylaziridine-1-carbothioate
CID 59269096
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) 2-methylazetidine-1-carbothioate
CID 59269188
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N,N-bis(prop-2-enyl)carbamothioate
CID 59269222
S-(5-methyl-1,2,4-thiadiazol-3-yl) 2,3-dimethylaziridine-1-carbothioate
CID 59269481
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethylcarbamothioate
CID 59269726

Frequently Asked Questions

What is the IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate?
The IUPAC name of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate (CID 59269141) is S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate.
What is the SMILES notation for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate?
The canonical SMILES for S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate is CCN(C)C(=O)Sc1nsc(C)n1.
What is the InChIKey of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate?
The InChIKey is LYFHJVHFQKXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-4-10(3)7(11)12-6-8-5(2)13-9-6/h4H2,1-3H3.
What are the key properties of S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate?
S-[(5-methyl-1,2,4-thiadiazol-3-yl)] N-ethyl-N-methylcarbamothioate has a molecular weight of 217.32 g/mol, XLogP of 2.01, 2 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-ethyl-N-methylcarbamothioate is sourced from PubChem (CID 59269141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).