[2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid

C7H10BN3O2S — CID 175398707

IUPAC[2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid
SMILESOB(O)c1cnc(N2CCCS2)nc1
InChIInChI=1S/C7H10BN3O2S/c12-8(13)6-4-9-7(10-5-6)11-2-1-3-14-11/h4-5,12-13H,1-3H2
InChIKeyUWSHXEXYDKCBJD-UHFFFAOYSA-N
MW211.06 g/mol
LogP-0.99
Rot. Bonds2

About [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid

[2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid (PubChem CID 175398707) has the molecular formula C7H10BN3O2S and a molecular weight of 211.06 g/mol. Its IUPAC name is [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid.

Molecular Properties

Compound Name[2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid
PubChem CID175398707
Molecular FormulaC7H10BN3O2S
Molecular Weight211.06 g/mol
Exact Mass211.06
IUPAC Name[2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid
SMILESOB(O)c1cnc(N2CCCS2)nc1
InChIInChI=1S/C7H10BN3O2S/c12-8(13)6-4-9-7(10-5-6)11-2-1-3-14-11/h4-5,12-13H,1-3H2
InChIKeyUWSHXEXYDKCBJD-UHFFFAOYSA-N
XLogP-0.99
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid?
The IUPAC name of [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid (CID 175398707) is [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid.
What is the SMILES notation for [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid?
The canonical SMILES for [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid is OB(O)c1cnc(N2CCCS2)nc1.
What is the InChIKey of [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid?
The InChIKey is UWSHXEXYDKCBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BN3O2S/c12-8(13)6-4-9-7(10-5-6)11-2-1-3-14-11/h4-5,12-13H,1-3H2.
What are the key properties of [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid?
[2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid has a molecular weight of 211.06 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-thiazolidin-2-yl)pyrimidin-5-yl]boronic acid is sourced from PubChem (CID 175398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).