1,3-thiazolidin-4-one

C3H5NOS — CID 637591

IUPAC1,3-thiazolidin-4-one
SMILESO=C1CSCN1
InChIInChI=1S/C3H5NOS/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)
InChIKeyNOLHRFLIXVQPSZ-UHFFFAOYSA-N
MW103.15 g/mol
LogP-0.19
Rot. Bonds

About 1,3-thiazolidin-4-one

1,3-thiazolidin-4-one (PubChem CID 637591) has the molecular formula C3H5NOS and a molecular weight of 103.15 g/mol. Its IUPAC name is 1,3-thiazolidin-4-one.

Molecular Properties

Compound Name1,3-thiazolidin-4-one
PubChem CID637591
Molecular FormulaC3H5NOS
Molecular Weight103.15 g/mol
Exact Mass103.01
IUPAC Name1,3-thiazolidin-4-one
SMILESO=C1CSCN1
InChIInChI=1S/C3H5NOS/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)
InChIKeyNOLHRFLIXVQPSZ-UHFFFAOYSA-N
XLogP-0.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-4-one?
The IUPAC name of 1,3-thiazolidin-4-one (CID 637591) is 1,3-thiazolidin-4-one.
What is the SMILES notation for 1,3-thiazolidin-4-one?
The canonical SMILES for 1,3-thiazolidin-4-one is O=C1CSCN1.
What is the InChIKey of 1,3-thiazolidin-4-one?
The InChIKey is NOLHRFLIXVQPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NOS/c5-3-1-6-2-4-3/h1-2H2,(H,4,5).
What are the key properties of 1,3-thiazolidin-4-one?
1,3-thiazolidin-4-one has a molecular weight of 103.15 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-4-one is sourced from PubChem (CID 637591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).