1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol

C9H10BrN3OS — CID 107065564

IUPAC1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2csc(Br)c2)nn1
InChIInChI=1S/C9H10BrN3OS/c1-13-4-7(11-12-13)3-8(14)6-2-9(10)15-5-6/h2,4-5,8,14H,3H2,1H3
InChIKeyYDCJCLHJFJFOPD-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107065564) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107065564
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2csc(Br)c2)nn1
InChIInChI=1S/C9H10BrN3OS/c1-13-4-7(11-12-13)3-8(14)6-2-9(10)15-5-6/h2,4-5,8,14H,3H2,1H3
InChIKeyYDCJCLHJFJFOPD-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

Analyze 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 64086710
1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(5-Bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138411
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol
CID 106465484
1-(5-Bromo-3-methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 106465679
1-(1-Methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 107045765
1-(5-Bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045810

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107065564) is 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2csc(Br)c2)nn1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is YDCJCLHJFJFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-13-4-7(11-12-13)3-8(14)6-2-9(10)15-5-6/h2,4-5,8,14H,3H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-bromothiophen-3-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-3-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).