2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol

C9H5BrFNOS — CID 116889834

IUPAC2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C9H5BrFNOS/c10-5-1-2-7(11)6(3-5)9-12-8(13)4-14-9/h1-4,13H
InChIKeyCETBFGJXNIOYCL-UHFFFAOYSA-N
MW274.11 g/mol
LogP3.42
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol

2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol (PubChem CID 116889834) has the molecular formula C9H5BrFNOS and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
PubChem CID116889834
Molecular FormulaC9H5BrFNOS
Molecular Weight274.11 g/mol
Exact Mass272.93
IUPAC Name2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C9H5BrFNOS/c10-5-1-2-7(11)6(3-5)9-12-8(13)4-14-9/h1-4,13H
InChIKeyCETBFGJXNIOYCL-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
2-amino-1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890698
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-2-chloroethanone
CID 114893721
2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890638
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-ol
CID 130501515
2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888662
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
4-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 114896294
5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 122508757

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol (CID 116889834) is 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol is Oc1csc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol?
The InChIKey is CETBFGJXNIOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNOS/c10-5-1-2-7(11)6(3-5)9-12-8(13)4-14-9/h1-4,13H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol?
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol has a molecular weight of 274.11 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).