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

C6H8BrN3O2S — CID 106670876

IUPAC1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2nnc(Br)s2)CC1O
InChIInChI=1S/C6H8BrN3O2S/c7-5-8-9-6(13-5)10-1-3(11)4(12)2-10/h3-4,11-12H,1-2H2
InChIKeyIHJUQGSEJYMUAP-UHFFFAOYSA-N
MW266.12 g/mol
LogP-0.16
Rot. Bonds1

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

1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol (PubChem CID 106670876) has the molecular formula C6H8BrN3O2S and a molecular weight of 266.12 g/mol. Its IUPAC name is 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol
PubChem CID106670876
Molecular FormulaC6H8BrN3O2S
Molecular Weight266.12 g/mol
Exact Mass264.95
IUPAC Name1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2nnc(Br)s2)CC1O
InChIInChI=1S/C6H8BrN3O2S/c7-5-8-9-6(13-5)10-1-3(11)4(12)2-10/h3-4,11-12H,1-2H2
InChIKeyIHJUQGSEJYMUAP-UHFFFAOYSA-N
XLogP-0.16
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol (CID 106670876) is 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol is OC1CN(c2nnc(Br)s2)CC1O.
What is the InChIKey of 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol?
The InChIKey is IHJUQGSEJYMUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2S/c7-5-8-9-6(13-5)10-1-3(11)4(12)2-10/h3-4,11-12H,1-2H2.
What are the key properties of 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol?
1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol has a molecular weight of 266.12 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3,4-thiadiazol-2-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).