1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C9H10BrN3OS — CID 107045810

IUPAC1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(Br)s2)nn1
InChIInChI=1S/C9H10BrN3OS/c1-13-5-6(11-12-13)4-7(14)8-2-3-9(10)15-8/h2-3,5,7,14H,4H2,1H3
InChIKeyJSVCMYOEJYLJGV-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045810) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045810
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(Br)s2)nn1
InChIInChI=1S/C9H10BrN3OS/c1-13-5-6(11-12-13)4-7(14)8-2-3-9(10)15-8/h2-3,5,7,14H,4H2,1H3
InChIKeyJSVCMYOEJYLJGV-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
2-[1-[(5-Bromothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62399617
2-[1-[(5-Ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62399620
2-[1-[(3-Bromothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62401122
{1-[(5-bromothiophen-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 62401273
2-[1-[(4-Bromothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62401515
1-(5-Bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770983
1-(5-Bromothiophen-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanol
CID 64783490
1-(5-Bromothiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783678
2-(5-Bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 65195261
2-(5-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494848
1-[1-[(4-Bromothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 81443916

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045810) is 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2ccc(Br)s2)nn1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is JSVCMYOEJYLJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-13-5-6(11-12-13)4-7(14)8-2-3-9(10)15-8/h2-3,5,7,14H,4H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 288.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).