2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C15H18BNO2S — CID 45114004

IUPAC2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCC1(C)OB(c2cnc(-c3ccccc3)s2)OC1(C)C
InChIInChI=1S/C15H18BNO2S/c1-14(2)15(3,4)19-16(18-14)12-10-17-13(20-12)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyWQSYNFUNPLJVSS-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.11
Rot. Bonds2

About 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (PubChem CID 45114004) has the molecular formula C15H18BNO2S and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
PubChem CID45114004
Molecular FormulaC15H18BNO2S
Molecular Weight287.19 g/mol
Exact Mass287.12
IUPAC Name2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
SMILESCC1(C)OB(c2cnc(-c3ccccc3)s2)OC1(C)C
InChIInChI=1S/C15H18BNO2S/c1-14(2)15(3,4)19-16(18-14)12-10-17-13(20-12)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyWQSYNFUNPLJVSS-UHFFFAOYSA-N
XLogP3.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.11
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-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The IUPAC name of 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole (CID 45114004) is 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is CC1(C)OB(c2cnc(-c3ccccc3)s2)OC1(C)C.
What is the InChIKey of 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
The InChIKey is WQSYNFUNPLJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BNO2S/c1-14(2)15(3,4)19-16(18-14)12-10-17-13(20-12)11-8-6-5-7-9-11/h5-10H,1-4H3.
What are the key properties of 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole?
2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole has a molecular weight of 287.19 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 45114004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).