[(4S)-1,3-thiazolidin-4-yl]methanediol

C4H9NO2S — CID 89302942

IUPAC[(4S)-1,3-thiazolidin-4-yl]methanediol
SMILESOC(O)[C@H]1CSCN1
InChIInChI=1S/C4H9NO2S/c6-4(7)3-1-8-2-5-3/h3-7H,1-2H2/t3-/m1/s1
InChIKeyXAMDDYONZYJNPX-GSVOUGTGSA-N
MW135.19 g/mol
LogP-1.04
Rot. Bonds1

About [(4S)-1,3-thiazolidin-4-yl]methanediol

[(4S)-1,3-thiazolidin-4-yl]methanediol (PubChem CID 89302942) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is [(4S)-1,3-thiazolidin-4-yl]methanediol.

Molecular Properties

Compound Name[(4S)-1,3-thiazolidin-4-yl]methanediol
PubChem CID89302942
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name[(4S)-1,3-thiazolidin-4-yl]methanediol
SMILESOC(O)[C@H]1CSCN1
InChIInChI=1S/C4H9NO2S/c6-4(7)3-1-8-2-5-3/h3-7H,1-2H2/t3-/m1/s1
InChIKeyXAMDDYONZYJNPX-GSVOUGTGSA-N
XLogP-1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-1,3-thiazolidine
CID 23588978
(4S)-4-benzhydryl-1,3-thiazolidine
CID 59628705
1,3-thiazolidine-4-carboxylic acid
CID 9934
1-[(4R)-1,3-thiazolidin-4-yl]ethenol
CID 118586381
2-(1,3-thiazolidin-4-yl)acetamide
CID 139972017
(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine
CID 59628826
2-[1,1-bis[ethyl(methyl)amino]-1,3-benzothiazol-2-yl]-1-(1,3-thiazolidin-4-yl)ethanol
CID 91612245
N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 115734496
(4-hydroxypyrrolidin-2-yl)methanediol
CID 21301392
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-methoxy-N-methyl-1,3-thiazolidine-4-carboxamide
CID 22922472
1,3-dithian-5-ylmethanediol
CID 87303557

Frequently Asked Questions

What is the IUPAC name of [(4S)-1,3-thiazolidin-4-yl]methanediol?
The IUPAC name of [(4S)-1,3-thiazolidin-4-yl]methanediol (CID 89302942) is [(4S)-1,3-thiazolidin-4-yl]methanediol.
What is the SMILES notation for [(4S)-1,3-thiazolidin-4-yl]methanediol?
The canonical SMILES for [(4S)-1,3-thiazolidin-4-yl]methanediol is OC(O)[C@H]1CSCN1.
What is the InChIKey of [(4S)-1,3-thiazolidin-4-yl]methanediol?
The InChIKey is XAMDDYONZYJNPX-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H9NO2S/c6-4(7)3-1-8-2-5-3/h3-7H,1-2H2/t3-/m1/s1.
What are the key properties of [(4S)-1,3-thiazolidin-4-yl]methanediol?
[(4S)-1,3-thiazolidin-4-yl]methanediol has a molecular weight of 135.19 g/mol, XLogP of -1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1,3-thiazolidin-4-yl]methanediol is sourced from PubChem (CID 89302942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).