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

C14H16BrNOS — CID 115826147

IUPAC1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCc1nc(CC(O)c2cccc(Br)c2C)sc1C
InChIInChI=1S/C14H16BrNOS/c1-8-11(5-4-6-12(8)15)13(17)7-14-16-9(2)10(3)18-14/h4-6,13,17H,7H2,1-3H3
InChIKeyUIICRLZNJJPQGQ-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.11
Rot. Bonds3

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

1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (PubChem CID 115826147) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
PubChem CID115826147
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCc1nc(CC(O)c2cccc(Br)c2C)sc1C
InChIInChI=1S/C14H16BrNOS/c1-8-11(5-4-6-12(8)15)13(17)7-14-16-9(2)10(3)18-14/h4-6,13,17H,7H2,1-3H3
InChIKeyUIICRLZNJJPQGQ-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824178
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019688
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 107538340
1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 107953462
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826173
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418
1-(5-chloroquinolin-8-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115960088
2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 82490061
1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789330
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823085

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (CID 115826147) is 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is Cc1nc(CC(O)c2cccc(Br)c2C)sc1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is UIICRLZNJJPQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-8-11(5-4-6-12(8)15)13(17)7-14-16-9(2)10(3)18-14/h4-6,13,17H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 326.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 115826147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).