1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol

C7H9BrN2O2S — CID 130678297

IUPAC1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ncc(Br)s2)CC1O
InChIInChI=1S/C7H9BrN2O2S/c8-6-1-9-7(13-6)10-2-4(11)5(12)3-10/h1,4-5,11-12H,2-3H2
InChIKeyPNSMRZBIPIFEOQ-UHFFFAOYSA-N
MW265.13 g/mol
LogP0.45
Rot. Bonds1

About 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol

1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol (PubChem CID 130678297) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
PubChem CID130678297
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ncc(Br)s2)CC1O
InChIInChI=1S/C7H9BrN2O2S/c8-6-1-9-7(13-6)10-2-4(11)5(12)3-10/h1,4-5,11-12H,2-3H2
InChIKeyPNSMRZBIPIFEOQ-UHFFFAOYSA-N
XLogP0.45
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3-fluoroazetidin-1-yl)-1,3-thiazole
CID 154635774
(3S,4R)-1-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-3,4-diol
CID 130683240
2-[4-(5-bromo-1,3-thiazol-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol
CID 66657806
1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol
CID 106670876
1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol
CID 131042044
(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 130742356
1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol
CID 102771598
1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 66981361
5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 79035369
1-(5-amino-1,3-thiazol-2-yl)-5-methylpiperidin-3-ol
CID 130802698
2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102768954
2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
CID 134429966

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol (CID 130678297) is 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol is OC1CN(c2ncc(Br)s2)CC1O.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
The InChIKey is PNSMRZBIPIFEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c8-6-1-9-7(13-6)10-2-4(11)5(12)3-10/h1,4-5,11-12H,2-3H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol?
1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol has a molecular weight of 265.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 130678297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).