2-hydroxy-5-methylthiadiazolidine

C3H8N2OS — CID 154935812

IUPAC2-hydroxy-5-methylthiadiazolidine
SMILESCC1CNN(O)S1
InChIInChI=1S/C3H8N2OS/c1-3-2-4-5(6)7-3/h3-4,6H,2H2,1H3
InChIKeySGQRHRZBBCMCLW-UHFFFAOYSA-N
MW120.18 g/mol
LogP0.23
Rot. Bonds

About 2-hydroxy-5-methylthiadiazolidine

2-hydroxy-5-methylthiadiazolidine (PubChem CID 154935812) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 2-hydroxy-5-methylthiadiazolidine.

Molecular Properties

Compound Name2-hydroxy-5-methylthiadiazolidine
PubChem CID154935812
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name2-hydroxy-5-methylthiadiazolidine
SMILESCC1CNN(O)S1
InChIInChI=1S/C3H8N2OS/c1-3-2-4-5(6)7-3/h3-4,6H,2H2,1H3
InChIKeySGQRHRZBBCMCLW-UHFFFAOYSA-N
XLogP0.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methylthiadiazolidine?
The IUPAC name of 2-hydroxy-5-methylthiadiazolidine (CID 154935812) is 2-hydroxy-5-methylthiadiazolidine.
What is the SMILES notation for 2-hydroxy-5-methylthiadiazolidine?
The canonical SMILES for 2-hydroxy-5-methylthiadiazolidine is CC1CNN(O)S1.
What is the InChIKey of 2-hydroxy-5-methylthiadiazolidine?
The InChIKey is SGQRHRZBBCMCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-3-2-4-5(6)7-3/h3-4,6H,2H2,1H3.
What are the key properties of 2-hydroxy-5-methylthiadiazolidine?
2-hydroxy-5-methylthiadiazolidine has a molecular weight of 120.18 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methylthiadiazolidine is sourced from PubChem (CID 154935812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).