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

C13H10BrN3OS — CID 105128594

IUPAC(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1csc(Br)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H10BrN3OS/c14-12-6-9(8-19-12)13(18)11-7-15-16-17(11)10-4-2-1-3-5-10/h1-8,13,18H
InChIKeyXQOKENSEBIOOQO-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.17
Rot. Bonds3

About (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol

(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 105128594) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
PubChem CID105128594
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name(5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1csc(Br)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H10BrN3OS/c14-12-6-9(8-19-12)13(18)11-7-15-16-17(11)10-4-2-1-3-5-10/h1-8,13,18H
InChIKeyXQOKENSEBIOOQO-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

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Related Compounds

4-[4-[(S)-hydroxy(thiophen-2-yl)methyl]triazol-1-yl]benzonitrile
CID 155935486
[2-(4-Thiophen-3-yltriazol-1-yl)phenyl]methanol
CID 175169456
[2-(4-Thiophen-2-yltriazol-1-yl)phenyl]methanol
CID 175169521
(4-Bromo-5-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829577
(4-Bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829929
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372
(3-Chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 103408271
(2-Phenyltriazol-4-yl)-thiophen-3-ylmethanol
CID 105102746
(4-Bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol
CID 105113086
(4-Bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 105113229
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
1-(3-Phenyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol
CID 105128651

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol (CID 105128594) is (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol is OC(c1csc(Br)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is XQOKENSEBIOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-12-6-9(8-19-12)13(18)11-7-15-16-17(11)10-4-2-1-3-5-10/h1-8,13,18H.
What are the key properties of (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
(5-bromothiophen-3-yl)-(3-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 (5-bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105128594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).