3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine

C6H13NOS — CID 123405478

IUPAC3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine
SMILESCC1SCC(C)(C)N1O
InChIInChI=1S/C6H13NOS/c1-5-7(8)6(2,3)4-9-5/h5,8H,4H2,1-3H3
InChIKeyHZCZDPMGOPUBMP-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.55
Rot. Bonds

About 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine

3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine (PubChem CID 123405478) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine
PubChem CID123405478
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine
SMILESCC1SCC(C)(C)N1O
InChIInChI=1S/C6H13NOS/c1-5-7(8)6(2,3)4-9-5/h5,8H,4H2,1-3H3
InChIKeyHZCZDPMGOPUBMP-UHFFFAOYSA-N
XLogP1.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
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2,3,4,4-tetramethylthiolane
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1-hydroxy-2,2,5,5-tetramethylpyrrolidine;methanol
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine?
The IUPAC name of 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine (CID 123405478) is 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine.
What is the SMILES notation for 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine?
The canonical SMILES for 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine is CC1SCC(C)(C)N1O.
What is the InChIKey of 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine?
The InChIKey is HZCZDPMGOPUBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5-7(8)6(2,3)4-9-5/h5,8H,4H2,1-3H3.
What are the key properties of 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine?
3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine has a molecular weight of 147.24 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine is sourced from PubChem (CID 123405478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).