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

C12H12BrNOS — CID 103083716

IUPAC1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1cc(Br)ccc1-c1nc(C(C)O)cs1
InChIInChI=1S/C12H12BrNOS/c1-7-5-9(13)3-4-10(7)12-14-11(6-16-12)8(2)15/h3-6,8,15H,1-2H3
InChIKeyIAIDXADBLZICCT-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.93
Rot. Bonds2

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

1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 103083716) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID103083716
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1cc(Br)ccc1-c1nc(C(C)O)cs1
InChIInChI=1S/C12H12BrNOS/c1-7-5-9(13)3-4-10(7)12-14-11(6-16-12)8(2)15/h3-6,8,15H,1-2H3
InChIKeyIAIDXADBLZICCT-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
(1S)-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 103084135
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
CID 63384076
2-(4-bromo-2-methylphenyl)-1,3-thiazole
CID 57201412
5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103083503
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891287
1-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 64543314
4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245
2-amino-1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890698
4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
CID 81274426
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 64545128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol (CID 103083716) is 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol is Cc1cc(Br)ccc1-c1nc(C(C)O)cs1.
What is the InChIKey of 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is IAIDXADBLZICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-7-5-9(13)3-4-10(7)12-14-11(6-16-12)8(2)15/h3-6,8,15H,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 298.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 103083716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).