2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol

C11H10BrFN2OS — CID 116890638

IUPAC2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
SMILESNC(CO)c1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C11H10BrFN2OS/c12-6-1-2-8(13)7(3-6)11-15-10(5-17-11)9(14)4-16/h1-3,5,9,16H,4,14H2
InChIKeyWQNQKYOPULASIB-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.70
Rot. Bonds3

About 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol

2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 116890638) has the molecular formula C11H10BrFN2OS and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID116890638
Molecular FormulaC11H10BrFN2OS
Molecular Weight317.18 g/mol
Exact Mass315.97
IUPAC Name2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
SMILESNC(CO)c1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C11H10BrFN2OS/c12-6-1-2-8(13)7(3-6)11-15-10(5-17-11)9(14)4-16/h1-3,5,9,16H,4,14H2
InChIKeyWQNQKYOPULASIB-UHFFFAOYSA-N
XLogP2.70
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890698
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
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
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-2-chloroethanone
CID 114893721
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
CID 116890605
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
2-amino-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]ethanol
CID 116890620
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965145

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol (CID 116890638) is 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol is NC(CO)c1csc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is WQNQKYOPULASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2OS/c12-6-1-2-8(13)7(3-6)11-15-10(5-17-11)9(14)4-16/h1-3,5,9,16H,4,14H2.
What are the key properties of 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol?
2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 317.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 116890638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).