(4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol

C13H10BrN3OS — CID 105113229

IUPAC(4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1cscc1Br
InChIInChI=1S/C13H10BrN3OS/c14-11-8-19-7-10(11)13(18)12-6-15-17(16-12)9-4-2-1-3-5-9/h1-8,13,18H
InChIKeyFFMQEHTZXZPZIX-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.17
Rot. Bonds3

About (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol

(4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 105113229) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
PubChem CID105113229
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name(4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)n1)c1cscc1Br
InChIInChI=1S/C13H10BrN3OS/c14-11-8-19-7-10(11)13(18)12-6-15-17(16-12)9-4-2-1-3-5-9/h1-8,13,18H
InChIKeyFFMQEHTZXZPZIX-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol 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

(4-bromothiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494632
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(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
1-(2-Phenyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105089525
2-(4-Bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105090617
2-(3-Bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105090985
1-(2-Phenyltriazol-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097907
(2-Phenyltriazol-4-yl)-thiophen-3-ylmethanol
CID 105102746
(5-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 105103933

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol (CID 105113229) is (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)n1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is FFMQEHTZXZPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-11-8-19-7-10(11)13(18)12-6-15-17(16-12)9-4-2-1-3-5-9/h1-8,13,18H.
What are the key properties of (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
(4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol has a molecular weight of 336.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105113229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).