3,4,5,5-tetramethyl-1,3-thiazolidin-2-one

C7H13NOS — CID 118299357

IUPAC3,4,5,5-tetramethyl-1,3-thiazolidin-2-one
SMILESCC1N(C)C(=O)SC1(C)C
InChIInChI=1S/C7H13NOS/c1-5-7(2,3)10-6(9)8(5)4/h5H,1-4H3
InChIKeyQSMLILRYHNMGKB-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.95
Rot. Bonds

About 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one

3,4,5,5-tetramethyl-1,3-thiazolidin-2-one (PubChem CID 118299357) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3,4,5,5-tetramethyl-1,3-thiazolidin-2-one
PubChem CID118299357
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3,4,5,5-tetramethyl-1,3-thiazolidin-2-one
SMILESCC1N(C)C(=O)SC1(C)C
InChIInChI=1S/C7H13NOS/c1-5-7(2,3)10-6(9)8(5)4/h5H,1-4H3
InChIKeyQSMLILRYHNMGKB-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,3,3,5-tetramethylpyrrolidine-2,4-dione
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3,4-dimethylpyrrolidine-2,5-dione
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4-fluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
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(1R,4R)-1,2,4,5-tetramethyl-7-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one?
The IUPAC name of 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one (CID 118299357) is 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one is CC1N(C)C(=O)SC1(C)C.
What is the InChIKey of 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one?
The InChIKey is QSMLILRYHNMGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5-7(2,3)10-6(9)8(5)4/h5H,1-4H3.
What are the key properties of 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one?
3,4,5,5-tetramethyl-1,3-thiazolidin-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetramethyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 118299357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).