(4S)-4-methyl-1,3-thiazolidin-2-one

C4H7NOS — CID 18397191

IUPAC(4S)-4-methyl-1,3-thiazolidin-2-one
SMILESC[C@H]1CSC(=O)N1
InChIInChI=1S/C4H7NOS/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1
InChIKeyJUGKVRVJTSDEBU-VKHMYHEASA-N
MW117.17 g/mol
LogP0.83
Rot. Bonds

About (4S)-4-methyl-1,3-thiazolidin-2-one

(4S)-4-methyl-1,3-thiazolidin-2-one (PubChem CID 18397191) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is (4S)-4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-1,3-thiazolidin-2-one
PubChem CID18397191
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name(4S)-4-methyl-1,3-thiazolidin-2-one
SMILESC[C@H]1CSC(=O)N1
InChIInChI=1S/C4H7NOS/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1
InChIKeyJUGKVRVJTSDEBU-VKHMYHEASA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of (4S)-4-methyl-1,3-thiazolidin-2-one (CID 18397191) is (4S)-4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for (4S)-4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for (4S)-4-methyl-1,3-thiazolidin-2-one is C[C@H]1CSC(=O)N1.
What is the InChIKey of (4S)-4-methyl-1,3-thiazolidin-2-one?
The InChIKey is JUGKVRVJTSDEBU-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NOS/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1.
What are the key properties of (4S)-4-methyl-1,3-thiazolidin-2-one?
(4S)-4-methyl-1,3-thiazolidin-2-one has a molecular weight of 117.17 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 18397191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).