(4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate

C7H12N4S2 — CID 130901036

IUPAC(4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1snnc1C
InChIInChI=1S/C7H12N4S2/c1-5-6(13-11-10-5)4-12-7(8-2)9-3/h4H2,1-3H3,(H,8,9)
InChIKeyXAHYBRUBGDZDTK-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.28
Rot. Bonds2

About (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate

(4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate (PubChem CID 130901036) has the molecular formula C7H12N4S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate
PubChem CID130901036
Molecular FormulaC7H12N4S2
Molecular Weight216.33 g/mol
Exact Mass216.05
IUPAC Name(4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1snnc1C
InChIInChI=1S/C7H12N4S2/c1-5-6(13-11-10-5)4-12-7(8-2)9-3/h4H2,1-3H3,(H,8,9)
InChIKeyXAHYBRUBGDZDTK-UHFFFAOYSA-N
XLogP1.28
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate?
The IUPAC name of (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate (CID 130901036) is (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate?
The canonical SMILES for (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate is C/N=C(\NC)SCc1snnc1C.
What is the InChIKey of (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate?
The InChIKey is XAHYBRUBGDZDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S2/c1-5-6(13-11-10-5)4-12-7(8-2)9-3/h4H2,1-3H3,(H,8,9).
What are the key properties of (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate?
(4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate has a molecular weight of 216.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)methyl N,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 130901036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).