2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol

C14H12BrN3OS — CID 105090617

IUPAC2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H12BrN3OS/c15-10-6-12(20-9-10)7-14(19)13-8-16-18(17-13)11-4-2-1-3-5-11/h1-6,8-9,14,19H,7H2
InChIKeyVGMJMZVUSYLUPN-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol

2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol (PubChem CID 105090617) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
PubChem CID105090617
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H12BrN3OS/c15-10-6-12(20-9-10)7-14(19)13-8-16-18(17-13)11-4-2-1-3-5-11/h1-6,8-9,14,19H,7H2
InChIKeyVGMJMZVUSYLUPN-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494604
2-(3-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494726
(3-bromothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494779
2-(5-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494848
(4-Bromo-5-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829577
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372
(2-Phenyltriazol-4-yl)-thiophen-2-ylmethanol
CID 105079990
1-(2-Phenyltriazol-4-yl)-2-thiophen-2-ylethanol
CID 105087185
2-(5-Bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087327
2-(5-Chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087453
2-(5-Ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087725
1-(2-Phenyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105089525

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol (CID 105090617) is 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol is OC(Cc1cc(Br)cs1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The InChIKey is VGMJMZVUSYLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c15-10-6-12(20-9-10)7-14(19)13-8-16-18(17-13)11-4-2-1-3-5-11/h1-6,8-9,14,19H,7H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol has a molecular weight of 350.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 105090617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).