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

C13H15BrN2OS — CID 116886738

IUPAC2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(Br)cc1-c1nc(C)c(C(O)CN)s1
InChIInChI=1S/C13H15BrN2OS/c1-7-3-4-9(14)5-10(7)13-16-8(2)12(18-13)11(17)6-15/h3-5,11,17H,6,15H2,1-2H3
InChIKeyVJMVGBZIJGXEMC-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.18
Rot. Bonds3

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

2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 116886738) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID116886738
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(Br)cc1-c1nc(C)c(C(O)CN)s1
InChIInChI=1S/C13H15BrN2OS/c1-7-3-4-9(14)5-10(7)13-16-8(2)12(18-13)11(17)6-15/h3-5,11,17H,6,15H2,1-2H3
InChIKeyVJMVGBZIJGXEMC-UHFFFAOYSA-N
XLogP3.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 116886738) is 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1ccc(Br)cc1-c1nc(C)c(C(O)CN)s1.
What is the InChIKey of 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is VJMVGBZIJGXEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-7-3-4-9(14)5-10(7)13-16-8(2)12(18-13)11(17)6-15/h3-5,11,17H,6,15H2,1-2H3.
What are the key properties of 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 327.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116886738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).