2,2-dimethyl-1,3-thiazolidin-4-one

C5H9NOS — CID 637592

IUPAC2,2-dimethyl-1,3-thiazolidin-4-one
SMILESCC1(C)NC(=O)CS1
InChIInChI=1S/C5H9NOS/c1-5(2)6-4(7)3-8-5/h3H2,1-2H3,(H,6,7)
InChIKeyRSEKGDNLZPACAU-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.59
Rot. Bonds

About 2,2-dimethyl-1,3-thiazolidin-4-one

2,2-dimethyl-1,3-thiazolidin-4-one (PubChem CID 637592) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3-thiazolidin-4-one
PubChem CID637592
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2,2-dimethyl-1,3-thiazolidin-4-one
SMILESCC1(C)NC(=O)CS1
InChIInChI=1S/C5H9NOS/c1-5(2)6-4(7)3-8-5/h3H2,1-2H3,(H,6,7)
InChIKeyRSEKGDNLZPACAU-UHFFFAOYSA-N
XLogP0.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 536046
chloro(trimethyl)silane;2,2-dimethyl-1,3-thiazolidin-4-one;(2,2-dimethyl-5H-1,3-thiazol-4-yl)oxy-trimethylsilane;2,2-dimethyl-3-trimethylsilyl-1,3-thiazolidin-4-one
CID 158347417
(3S)-2,2-dimethyl-5-oxothiomorpholine-3-carboxylic acid
CID 14039527
5-(2-methylpropyl)-5-propan-2-ylthiomorpholin-3-one
CID 58238927
(5S)-5-amino-5-methylpyrrolidin-2-one;hydrochloride
CID 141187075
5,5-dimethylpyrrolidine-2,4-dione
CID 13346709
aziridin-2-one
CID 158991665
2-ethyl-2-propan-2-ylthiomorpholine-3,5-dione
CID 130005541
4-butyl-4-methylazetidin-2-one
CID 100957433
(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
CID 170901449
5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one
CID 164646993
4-cyclobutyl-4,5,5-trimethylpyrrolidin-2-one
CID 131042748

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2,2-dimethyl-1,3-thiazolidin-4-one (CID 637592) is 2,2-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2,2-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2,2-dimethyl-1,3-thiazolidin-4-one is CC1(C)NC(=O)CS1.
What is the InChIKey of 2,2-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is RSEKGDNLZPACAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-5(2)6-4(7)3-8-5/h3H2,1-2H3,(H,6,7).
What are the key properties of 2,2-dimethyl-1,3-thiazolidin-4-one?
2,2-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 131.20 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 637592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).