(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol

C7H9ClN2O2S — CID 130683240

IUPAC(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(c2ncc(Cl)s2)C[C@@H]1O
InChIInChI=1S/C7H9ClN2O2S/c8-6-1-9-7(13-6)10-2-4(11)5(12)3-10/h1,4-5,11-12H,2-3H2/t4-,5+
InChIKeyPAUJEHPHATYUSP-SYDPRGILSA-N
MW220.68 g/mol
LogP0.34
Rot. Bonds1

About (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol

(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol (PubChem CID 130683240) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
PubChem CID130683240
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(c2ncc(Cl)s2)C[C@@H]1O
InChIInChI=1S/C7H9ClN2O2S/c8-6-1-9-7(13-6)10-2-4(11)5(12)3-10/h1,4-5,11-12H,2-3H2/t4-,5+
InChIKeyPAUJEHPHATYUSP-SYDPRGILSA-N
XLogP0.34
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol (CID 130683240) is (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol is O[C@@H]1CN(c2ncc(Cl)s2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
The InChIKey is PAUJEHPHATYUSP-SYDPRGILSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c8-6-1-9-7(13-6)10-2-4(11)5(12)3-10/h1,4-5,11-12H,2-3H2/t4-,5+.
What are the key properties of (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol has a molecular weight of 220.68 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 130683240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).