3-fluoro-2-methyl-1,3-thiazolidine

C4H8FNS — CID 145019402

IUPAC3-fluoro-2-methyl-1,3-thiazolidine
SMILESCC1SCCN1F
InChIInChI=1S/C4H8FNS/c1-4-6(5)2-3-7-4/h4H,2-3H2,1H3
InChIKeyBNYYRELGVHPWPW-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.27
Rot. Bonds

About 3-fluoro-2-methyl-1,3-thiazolidine

3-fluoro-2-methyl-1,3-thiazolidine (PubChem CID 145019402) has the molecular formula C4H8FNS and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-fluoro-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-fluoro-2-methyl-1,3-thiazolidine
PubChem CID145019402
Molecular FormulaC4H8FNS
Molecular Weight121.18 g/mol
Exact Mass121.04
IUPAC Name3-fluoro-2-methyl-1,3-thiazolidine
SMILESCC1SCCN1F
InChIInChI=1S/C4H8FNS/c1-4-6(5)2-3-7-4/h4H,2-3H2,1H3
InChIKeyBNYYRELGVHPWPW-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-methyl-1,3-thiazolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-1,3-thiazolidine?
The IUPAC name of 3-fluoro-2-methyl-1,3-thiazolidine (CID 145019402) is 3-fluoro-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 3-fluoro-2-methyl-1,3-thiazolidine?
The canonical SMILES for 3-fluoro-2-methyl-1,3-thiazolidine is CC1SCCN1F.
What is the InChIKey of 3-fluoro-2-methyl-1,3-thiazolidine?
The InChIKey is BNYYRELGVHPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNS/c1-4-6(5)2-3-7-4/h4H,2-3H2,1H3.
What are the key properties of 3-fluoro-2-methyl-1,3-thiazolidine?
3-fluoro-2-methyl-1,3-thiazolidine has a molecular weight of 121.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 145019402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).