1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol

C6H13NO3S — CID 141047771

IUPAC1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)C1NCCS1
InChIInChI=1S/C6H13NO3S/c8-3-4(9)5(10)6-7-1-2-11-6/h4-10H,1-3H2
InChIKeyOQTAYOGMHDUFKN-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.64
Rot. Bonds3

About 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol

1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol (PubChem CID 141047771) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol
PubChem CID141047771
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol
SMILESOCC(O)C(O)C1NCCS1
InChIInChI=1S/C6H13NO3S/c8-3-4(9)5(10)6-7-1-2-11-6/h4-10H,1-3H2
InChIKeyOQTAYOGMHDUFKN-UHFFFAOYSA-N
XLogP-1.64
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R,3R)-1-(1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
CID 101134454
(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol
CID 10398173
(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol
CID 7187937
(2R)-2-[(2S)-pentan-2-yl]-1,3-thiazinane
CID 92644098
2-(1,3-thiazolidin-2-yl)ethanamine
CID 54123437
(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol
CID 10656697
(2R,3R,4S,5S)-2-[(1R,2R)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol
CID 10353540
2-ethenyl-1,3-thiazolidine
CID 90729878
(2R,4R)-2-[(1S,2S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid
CID 92525462
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
bis(1,3-thiazolidin-2-yl)methanone;iron
CID 175441879
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol?
The IUPAC name of 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol (CID 141047771) is 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol is OCC(O)C(O)C1NCCS1.
What is the InChIKey of 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol?
The InChIKey is OQTAYOGMHDUFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c8-3-4(9)5(10)6-7-1-2-11-6/h4-10H,1-3H2.
What are the key properties of 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol?
1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol has a molecular weight of 179.24 g/mol, XLogP of -1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol is sourced from PubChem (CID 141047771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).