2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C5H6BNO2S — CID 18541717

IUPAC2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESc1csc(B2OCCO2)n1
InChIInChI=1S/C5H6BNO2S/c1-4-10-5(7-1)6-8-2-3-9-6/h1,4H,2-3H2
InChIKeyAMCNFVSNMCENAB-UHFFFAOYSA-N
MW154.99 g/mol
LogP-0.11
Rot. Bonds1

About 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole

2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 18541717) has the molecular formula C5H6BNO2S and a molecular weight of 154.99 g/mol. Its IUPAC name is 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole
PubChem CID18541717
Molecular FormulaC5H6BNO2S
Molecular Weight154.99 g/mol
Exact Mass155.02
IUPAC Name2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESc1csc(B2OCCO2)n1
InChIInChI=1S/C5H6BNO2S/c1-4-10-5(7-1)6-8-2-3-9-6/h1,4H,2-3H2
InChIKeyAMCNFVSNMCENAB-UHFFFAOYSA-N
XLogP-0.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.99
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 18541717) is 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole is c1csc(B2OCCO2)n1.
What is the InChIKey of 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The InChIKey is AMCNFVSNMCENAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BNO2S/c1-4-10-5(7-1)6-8-2-3-9-6/h1,4H,2-3H2.
What are the key properties of 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole has a molecular weight of 154.99 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 18541717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).