2-methylthiadiazolidine

C3H8N2S — CID 57052603

IUPAC2-methylthiadiazolidine
SMILESCN1NCCS1
InChIInChI=1S/C3H8N2S/c1-5-4-2-3-6-5/h4H,2-3H2,1H3
InChIKeyWZMCITQABJQOAQ-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.08
Rot. Bonds

About 2-methylthiadiazolidine

2-methylthiadiazolidine (PubChem CID 57052603) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is 2-methylthiadiazolidine.

Molecular Properties

Compound Name2-methylthiadiazolidine
PubChem CID57052603
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name2-methylthiadiazolidine
SMILESCN1NCCS1
InChIInChI=1S/C3H8N2S/c1-5-4-2-3-6-5/h4H,2-3H2,1H3
InChIKeyWZMCITQABJQOAQ-UHFFFAOYSA-N
XLogP0.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydrothiadiazol-2-amine
CID 20527895
Thiadiazolidine
CID 21887071
2-Sulfanylidenethiadiazolidin-2-ium
CID 20163164
2-Butylthiadiazolidine
CID 57164517
2-Methylthiadiazolidine;hydroiodide
CID 69586598
(2R)-2-methyl-1,3,4-thiadiazolidine
CID 70308765
2-Butylthiadiazolidine;hydrobromide
CID 70531942
2-Methyl-1,3,4-thiadiazolidine
CID 77817629
2-Methyl-2-oxidothiadiazolidin-2-ium
CID 88661242
(5R)-5-methylthiadiazolidine
CID 89109766
(4S)-4-methylthiadiazolidine
CID 89136214
4-Methylthiadiazolidine
CID 90196713

Frequently Asked Questions

What is the IUPAC name of 2-methylthiadiazolidine?
The IUPAC name of 2-methylthiadiazolidine (CID 57052603) is 2-methylthiadiazolidine.
What is the SMILES notation for 2-methylthiadiazolidine?
The canonical SMILES for 2-methylthiadiazolidine is CN1NCCS1.
What is the InChIKey of 2-methylthiadiazolidine?
The InChIKey is WZMCITQABJQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c1-5-4-2-3-6-5/h4H,2-3H2,1H3.
What are the key properties of 2-methylthiadiazolidine?
2-methylthiadiazolidine has a molecular weight of 104.18 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiadiazolidine is sourced from PubChem (CID 57052603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).