1,3-thiazolidin-3-ylmethanol

C4H9NOS — CID 57101744

IUPAC1,3-thiazolidin-3-ylmethanol
SMILESOCN1CCSC1
InChIInChI=1S/C4H9NOS/c6-3-5-1-2-7-4-5/h6H,1-4H2
InChIKeyUDWSGVUITMBKED-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.06
Rot. Bonds1

About 1,3-thiazolidin-3-ylmethanol

1,3-thiazolidin-3-ylmethanol (PubChem CID 57101744) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 1,3-thiazolidin-3-ylmethanol.

Molecular Properties

Compound Name1,3-thiazolidin-3-ylmethanol
PubChem CID57101744
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name1,3-thiazolidin-3-ylmethanol
SMILESOCN1CCSC1
InChIInChI=1S/C4H9NOS/c6-3-5-1-2-7-4-5/h6H,1-4H2
InChIKeyUDWSGVUITMBKED-UHFFFAOYSA-N
XLogP-0.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-3-ylmethanol?
The IUPAC name of 1,3-thiazolidin-3-ylmethanol (CID 57101744) is 1,3-thiazolidin-3-ylmethanol.
What is the SMILES notation for 1,3-thiazolidin-3-ylmethanol?
The canonical SMILES for 1,3-thiazolidin-3-ylmethanol is OCN1CCSC1.
What is the InChIKey of 1,3-thiazolidin-3-ylmethanol?
The InChIKey is UDWSGVUITMBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c6-3-5-1-2-7-4-5/h6H,1-4H2.
What are the key properties of 1,3-thiazolidin-3-ylmethanol?
1,3-thiazolidin-3-ylmethanol has a molecular weight of 119.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-3-ylmethanol is sourced from PubChem (CID 57101744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).