(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid

C7H11BN2O3S — CID 66632378

IUPAC(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
SMILESOB(O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C7H11BN2O3S/c11-8(12)6-5-14-7(9-6)10-1-3-13-4-2-10/h5,11-12H,1-4H2
InChIKeyJBFVMPFBBNVHLP-UHFFFAOYSA-N
MW214.05 g/mol
LogP-1.34
Rot. Bonds2

About (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid

(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid (PubChem CID 66632378) has the molecular formula C7H11BN2O3S and a molecular weight of 214.05 g/mol. Its IUPAC name is (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid.

Molecular Properties

Compound Name(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
PubChem CID66632378
Molecular FormulaC7H11BN2O3S
Molecular Weight214.05 g/mol
Exact Mass214.06
IUPAC Name(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
SMILESOB(O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C7H11BN2O3S/c11-8(12)6-5-14-7(9-6)10-1-3-13-4-2-10/h5,11-12H,1-4H2
InChIKeyJBFVMPFBBNVHLP-UHFFFAOYSA-N
XLogP-1.34
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid?
The IUPAC name of (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid (CID 66632378) is (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid.
What is the SMILES notation for (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid?
The canonical SMILES for (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid is OB(O)c1csc(N2CCOCC2)n1.
What is the InChIKey of (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid?
The InChIKey is JBFVMPFBBNVHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2O3S/c11-8(12)6-5-14-7(9-6)10-1-3-13-4-2-10/h5,11-12H,1-4H2.
What are the key properties of (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid?
(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid has a molecular weight of 214.05 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid is sourced from PubChem (CID 66632378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).