[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane

C12H13BFNOS — CID 58430075

IUPAC[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
SMILESCB(C)c1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C12H13BFNOS/c1-13(2)11-4-3-9(5-12(11)14)16-7-10-6-15-8-17-10/h3-6,8H,7H2,1-2H3
InChIKeyIOQPWVFZVVTQSZ-UHFFFAOYSA-N
MW249.12 g/mol
LogP2.82
Rot. Bonds4

About [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane

[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane (PubChem CID 58430075) has the molecular formula C12H13BFNOS and a molecular weight of 249.12 g/mol. Its IUPAC name is [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane.

Molecular Properties

Compound Name[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
PubChem CID58430075
Molecular FormulaC12H13BFNOS
Molecular Weight249.12 g/mol
Exact Mass249.08
IUPAC Name[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
SMILESCB(C)c1ccc(OCc2cncs2)cc1F
InChIInChI=1S/C12H13BFNOS/c1-13(2)11-4-3-9(5-12(11)14)16-7-10-6-15-8-17-10/h3-6,8H,7H2,1-2H3
InChIKeyIOQPWVFZVVTQSZ-UHFFFAOYSA-N
XLogP2.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640713
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
5-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102990539
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane
CID 58430017
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640440
[4-[2-(3,4-dichlorophenyl)ethoxy]-2-fluorophenyl]-dimethylborane
CID 58430006

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane?
The IUPAC name of [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane (CID 58430075) is [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane.
What is the SMILES notation for [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane?
The canonical SMILES for [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane is CB(C)c1ccc(OCc2cncs2)cc1F.
What is the InChIKey of [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane?
The InChIKey is IOQPWVFZVVTQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BFNOS/c1-13(2)11-4-3-9(5-12(11)14)16-7-10-6-15-8-17-10/h3-6,8H,7H2,1-2H3.
What are the key properties of [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane?
[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane has a molecular weight of 249.12 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane is sourced from PubChem (CID 58430075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).