1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

C13H12BrF2NOS — CID 107538340

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(F)c(F)c2Br)sc1C
InChIInChI=1S/C13H12BrF2NOS/c1-6-7(2)19-11(17-6)5-10(18)8-3-4-9(15)13(16)12(8)14/h3-4,10,18H,5H2,1-2H3
InChIKeySNNBBQJIFPFUSJ-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.08
Rot. Bonds3

About 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (PubChem CID 107538340) has the molecular formula C13H12BrF2NOS and a molecular weight of 348.21 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
PubChem CID107538340
Molecular FormulaC13H12BrF2NOS
Molecular Weight348.21 g/mol
Exact Mass346.98
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCc1nc(CC(O)c2ccc(F)c(F)c2Br)sc1C
InChIInChI=1S/C13H12BrF2NOS/c1-6-7(2)19-11(17-6)5-10(18)8-3-4-9(15)13(16)12(8)14/h3-4,10,18H,5H2,1-2H3
InChIKeySNNBBQJIFPFUSJ-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 107539237
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826147
1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826173
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 107538257
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107538377
1-(5-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 55155228
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 107953462
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105326726

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (CID 107538340) is 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is Cc1nc(CC(O)c2ccc(F)c(F)c2Br)sc1C.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is SNNBBQJIFPFUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NOS/c1-6-7(2)19-11(17-6)5-10(18)8-3-4-9(15)13(16)12(8)14/h3-4,10,18H,5H2,1-2H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 348.21 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 107538340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).