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

C12H12BrNOS — CID 68570073

IUPAC2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1cc(Br)ccc1-c1ncc(CCO)s1
InChIInChI=1S/C12H12BrNOS/c1-8-6-9(13)2-3-11(8)12-14-7-10(16-12)4-5-15/h2-3,6-7,15H,4-5H2,1H3
InChIKeyFBHLTCRIGIEEGD-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.42
Rot. Bonds3

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

2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 68570073) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID68570073
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1cc(Br)ccc1-c1ncc(CCO)s1
InChIInChI=1S/C12H12BrNOS/c1-8-6-9(13)2-3-11(8)12-14-7-10(16-12)4-5-15/h2-3,6-7,15H,4-5H2,1H3
InChIKeyFBHLTCRIGIEEGD-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol (CID 68570073) is 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol is Cc1cc(Br)ccc1-c1ncc(CCO)s1.
What is the InChIKey of 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is FBHLTCRIGIEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-8-6-9(13)2-3-11(8)12-14-7-10(16-12)4-5-15/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol?
2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 298.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 68570073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).