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

C11H8BrClFNOS — CID 116852152

IUPAC2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
SMILESOCCc1sc(-c2ccc(F)c(Cl)c2)nc1Br
InChIInChI=1S/C11H8BrClFNOS/c12-10-9(3-4-16)17-11(15-10)6-1-2-8(14)7(13)5-6/h1-2,5,16H,3-4H2
InChIKeySTYZVBIVPXHSNU-UHFFFAOYSA-N
MW336.61 g/mol
LogP3.90
Rot. Bonds3

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

2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116852152) has the molecular formula C11H8BrClFNOS and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID116852152
Molecular FormulaC11H8BrClFNOS
Molecular Weight336.61 g/mol
Exact Mass334.92
IUPAC Name2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
SMILESOCCc1sc(-c2ccc(F)c(Cl)c2)nc1Br
InChIInChI=1S/C11H8BrClFNOS/c12-10-9(3-4-16)17-11(15-10)6-1-2-8(14)7(13)5-6/h1-2,5,16H,3-4H2
InChIKeySTYZVBIVPXHSNU-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol
CID 116852138
2-[4-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanol
CID 116852161
2-(3-chloro-4-fluorophenyl)-5-propyl-1,3-thiazole-4-carbaldehyde
CID 122476503
N-[[4-tert-butyl-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362661
3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374656
2-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80502983
2-[2-amino-3-(3-chloro-4-fluorophenyl)phenyl]ethanol
CID 154291643
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789
2-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 82801601
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
2-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63092785
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol (CID 116852152) is 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol is OCCc1sc(-c2ccc(F)c(Cl)c2)nc1Br.
What is the InChIKey of 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is STYZVBIVPXHSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNOS/c12-10-9(3-4-16)17-11(15-10)6-1-2-8(14)7(13)5-6/h1-2,5,16H,3-4H2.
What are the key properties of 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol?
2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 336.61 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116852152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).