[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol

C16H20BNO3S — CID 46739067

IUPAC[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol
SMILESCC1(C)OB(c2ccc(C(O)c3nccs3)cc2)OC1(C)C
InChIInChI=1S/C16H20BNO3S/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)13(19)14-18-9-10-22-14/h5-10,13,19H,1-4H3
InChIKeyWLBDZEXNSNOBAQ-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.52
Rot. Bonds3

About [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 46739067) has the molecular formula C16H20BNO3S and a molecular weight of 317.22 g/mol. Its IUPAC name is [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol
PubChem CID46739067
Molecular FormulaC16H20BNO3S
Molecular Weight317.22 g/mol
Exact Mass317.13
IUPAC Name[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol
SMILESCC1(C)OB(c2ccc(C(O)c3nccs3)cc2)OC1(C)C
InChIInChI=1S/C16H20BNO3S/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)13(19)14-18-9-10-22-14/h5-10,13,19H,1-4H3
InChIKeyWLBDZEXNSNOBAQ-UHFFFAOYSA-N
XLogP2.52
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Phenyl(1,3-thiazol-2-yl)methanol
CID 605604
(3-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-thiazol-2-yl-methanol
CID 71306496
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 11084983
2-[Phenyl(trimethylsilyloxy)methyl]thiazole
CID 13032473
(R)-2-phenyl-1-(thiazol-2-yl)ethanol
CID 19609064
1-Phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol
CID 146994174
1-[3-Fluoro-5-(2-trimethylsilylethylsulfanyl)phenyl]-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
CID 19426942
1-(3-Fluoro-5-sulfanylphenyl)-1-(1,3-thiazol-2-yl)ethanol
CID 19426955
5-Fluoro-3-[1-hydroxy-1-(thiazol-2-yl)propyl]thiophenol
CID 19426959
3,5-Difluoro-alpha-(thiazol-2-yl)benzenemethanol
CID 19426962
1,3-Difluoro-5-[3-hydroxy-3-(thiazol-2-yl)propen-3-yl]benzene
CID 19426986
5-Fluoro-3-[1-hydroxy-2-methyl-1-(thiazol-2-yl)propyl]thiophenol
CID 19426991

Frequently Asked Questions

What is the IUPAC name of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol (CID 46739067) is [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol is CC1(C)OB(c2ccc(C(O)c3nccs3)cc2)OC1(C)C.
What is the InChIKey of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is WLBDZEXNSNOBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BNO3S/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)13(19)14-18-9-10-22-14/h5-10,13,19H,1-4H3.
What are the key properties of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol?
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 317.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 46739067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).