1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C9H11BrN4OS — CID 106461819

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2c(Br)nnn2C)cs1
InChIInChI=1S/C9H11BrN4OS/c1-5-11-6(4-16-5)3-7(15)8-9(10)12-13-14(8)2/h4,7,15H,3H2,1-2H3
InChIKeyVKQMHWXXCJIKOT-UHFFFAOYSA-N
MW303.19 g/mol
LogP1.62
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 106461819) has the molecular formula C9H11BrN4OS and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID106461819
Molecular FormulaC9H11BrN4OS
Molecular Weight303.19 g/mol
Exact Mass301.98
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2c(Br)nnn2C)cs1
InChIInChI=1S/C9H11BrN4OS/c1-5-11-6(4-16-5)3-7(15)8-9(10)12-13-14(8)2/h4,7,15H,3H2,1-2H3
InChIKeyVKQMHWXXCJIKOT-UHFFFAOYSA-N
XLogP1.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
1-(5-bromo-3-methyltriazol-4-yl)-2-methylsulfanylethanol
CID 106461816
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 106461399
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(5-bromo-3-methyltriazol-4-yl)-3-ethylsulfanylpropan-1-ol
CID 106461419
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812072
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
CID 106465546
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 106461819) is 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2c(Br)nnn2C)cs1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is VKQMHWXXCJIKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4OS/c1-5-11-6(4-16-5)3-7(15)8-9(10)12-13-14(8)2/h4,7,15H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 303.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 106461819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).