1,3-thiazolidin-2-ylmethyl formate;hydrochloride

C5H10ClNO2S — CID 174790916

IUPAC1,3-thiazolidin-2-ylmethyl formate;hydrochloride
SMILESCl.O=COCC1NCCS1
InChIInChI=1S/C5H9NO2S.ClH/c7-4-8-3-5-6-1-2-9-5;/h4-6H,1-3H2;1H
InChIKeyUEKSZASJPXGGKQ-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.24
Rot. Bonds3

About 1,3-thiazolidin-2-ylmethyl formate;hydrochloride

1,3-thiazolidin-2-ylmethyl formate;hydrochloride (PubChem CID 174790916) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is 1,3-thiazolidin-2-ylmethyl formate;hydrochloride.

Molecular Properties

Compound Name1,3-thiazolidin-2-ylmethyl formate;hydrochloride
PubChem CID174790916
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name1,3-thiazolidin-2-ylmethyl formate;hydrochloride
SMILESCl.O=COCC1NCCS1
InChIInChI=1S/C5H9NO2S.ClH/c7-4-8-3-5-6-1-2-9-5;/h4-6H,1-3H2;1H
InChIKeyUEKSZASJPXGGKQ-UHFFFAOYSA-N
XLogP0.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-2-ylmethyl formate;hydrochloride?
The IUPAC name of 1,3-thiazolidin-2-ylmethyl formate;hydrochloride (CID 174790916) is 1,3-thiazolidin-2-ylmethyl formate;hydrochloride.
What is the SMILES notation for 1,3-thiazolidin-2-ylmethyl formate;hydrochloride?
The canonical SMILES for 1,3-thiazolidin-2-ylmethyl formate;hydrochloride is Cl.O=COCC1NCCS1.
What is the InChIKey of 1,3-thiazolidin-2-ylmethyl formate;hydrochloride?
The InChIKey is UEKSZASJPXGGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c7-4-8-3-5-6-1-2-9-5;/h4-6H,1-3H2;1H.
What are the key properties of 1,3-thiazolidin-2-ylmethyl formate;hydrochloride?
1,3-thiazolidin-2-ylmethyl formate;hydrochloride has a molecular weight of 183.66 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-2-ylmethyl formate;hydrochloride is sourced from PubChem (CID 174790916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).