ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol

C7H15NO2S — CID 163979792

IUPACethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol
SMILESCCOC(O)C1CSC(C)N1
InChIInChI=1S/C7H15NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h5-9H,3-4H2,1-2H3
InChIKeySXJOUAMORZJTLH-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.39
Rot. Bonds3

About ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol

ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol (PubChem CID 163979792) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol.

Molecular Properties

Compound Nameethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol
PubChem CID163979792
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Nameethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol
SMILESCCOC(O)C1CSC(C)N1
InChIInChI=1S/C7H15NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h5-9H,3-4H2,1-2H3
InChIKeySXJOUAMORZJTLH-UHFFFAOYSA-N
XLogP0.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol 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 ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol?
The IUPAC name of ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol (CID 163979792) is ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol.
What is the SMILES notation for ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol?
The canonical SMILES for ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol is CCOC(O)C1CSC(C)N1.
What is the InChIKey of ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol?
The InChIKey is SXJOUAMORZJTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h5-9H,3-4H2,1-2H3.
What are the key properties of ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol?
ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol has a molecular weight of 177.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-methyl-1,3-thiazolidin-4-yl)methanol is sourced from PubChem (CID 163979792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).