5-methyl-1,3-thiazolidin-2-one

C4H7NOS — CID 55295882

IUPAC5-methyl-1,3-thiazolidin-2-one
SMILESCC1CNC(=O)S1
InChIInChI=1S/C4H7NOS/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)
InChIKeyDCIQLFGNYQYEAV-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.83
Rot. Bonds

About 5-methyl-1,3-thiazolidin-2-one

5-methyl-1,3-thiazolidin-2-one (PubChem CID 55295882) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 5-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-methyl-1,3-thiazolidin-2-one
PubChem CID55295882
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name5-methyl-1,3-thiazolidin-2-one
SMILESCC1CNC(=O)S1
InChIInChI=1S/C4H7NOS/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)
InChIKeyDCIQLFGNYQYEAV-UHFFFAOYSA-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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Related Compounds

2-Thiazolidinone
CID 97431
S-Ethyl propylcarbamothioate
CID 181617
S-propan-2-yl N-ethylcarbamothioate
CID 55299382
5-Methyl-4-thiazolidinone
CID 14405100
(4S)-4-methyl-1,3-thiazolidin-2-one
CID 18397191
4-Methyl-1,3-thiazolidin-2-one
CID 19362304
4-Thiothiazolid-2-one
CID 88047069
Carbamothioic acid, ethyl-, S-propyl ester
CID 181615
Carbamothioic acid, propyl-, S-propyl ester
CID 181618
5-(Bromomethyl)-1,3-thiazolidin-2-one
CID 42647315
S-butyl N-ethylcarbamothioate
CID 11651193
5,5-Dimethylthiazolidin-2-one
CID 12749089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-methyl-1,3-thiazolidin-2-one (CID 55295882) is 5-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-methyl-1,3-thiazolidin-2-one is CC1CNC(=O)S1.
What is the InChIKey of 5-methyl-1,3-thiazolidin-2-one?
The InChIKey is DCIQLFGNYQYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6).
What are the key properties of 5-methyl-1,3-thiazolidin-2-one?
5-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 5-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 55295882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).