1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol

C12H12BrNOS — CID 114684126

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)c2nc(Br)cs2)c1
InChIInChI=1S/C12H12BrNOS/c1-8-4-3-5-9(6-8)12(2,15)11-14-10(13)7-16-11/h3-7,15H,1-2H3
InChIKeyBAFPUGVIEUJOHH-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.47
Rot. Bonds2

About 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol

1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol (PubChem CID 114684126) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol
PubChem CID114684126
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)c2nc(Br)cs2)c1
InChIInChI=1S/C12H12BrNOS/c1-8-4-3-5-9(6-8)12(2,15)11-14-10(13)7-16-11/h3-7,15H,1-2H3
InChIKeyBAFPUGVIEUJOHH-UHFFFAOYSA-N
XLogP3.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol (CID 114684126) is 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol is Cc1cccc(C(C)(O)c2nc(Br)cs2)c1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is BAFPUGVIEUJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-8-4-3-5-9(6-8)12(2,15)11-14-10(13)7-16-11/h3-7,15H,1-2H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol?
1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 298.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 114684126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).