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

C12H12BrNO2S — CID 116852089

IUPAC2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCOc1ccc(Br)cc1-c1ncc(CCO)s1
InChIInChI=1S/C12H12BrNO2S/c1-16-11-3-2-8(13)6-10(11)12-14-7-9(17-12)4-5-15/h2-3,6-7,15H,4-5H2,1H3
InChIKeyKKXXQIYSFMHHNF-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.12
Rot. Bonds4

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

2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116852089) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID116852089
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCOc1ccc(Br)cc1-c1ncc(CCO)s1
InChIInChI=1S/C12H12BrNO2S/c1-16-11-3-2-8(13)6-10(11)12-14-7-9(17-12)4-5-15/h2-3,6-7,15H,4-5H2,1H3
InChIKeyKKXXQIYSFMHHNF-UHFFFAOYSA-N
XLogP3.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282726
2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852096
2-(5-bromo-2-methoxyphenyl)-5-(1-bromopropyl)-1,3,4-thiadiazole
CID 112742087
2-(2-methoxy-1,3-thiazol-5-yl)ethanol
CID 83674256
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82303207
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
[4-(5-bromo-2-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866787
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 167952715
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 82308985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol (CID 116852089) is 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol is COc1ccc(Br)cc1-c1ncc(CCO)s1.
What is the InChIKey of 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is KKXXQIYSFMHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-16-11-3-2-8(13)6-10(11)12-14-7-9(17-12)4-5-15/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol?
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 314.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116852089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).