(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol

C13H9Cl2N3OS — CID 107969904

IUPAC(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cc(Cl)sc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H9Cl2N3OS/c14-11-6-9(13(15)20-11)12(19)10-7-16-17-18(10)8-4-2-1-3-5-8/h1-7,12,19H
InChIKeyFUZIHGXWYIZGTL-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.72
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol

(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 107969904) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
PubChem CID107969904
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cc(Cl)sc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H9Cl2N3OS/c14-11-6-9(13(15)20-11)12(19)10-7-16-17-18(10)8-4-2-1-3-5-8/h1-7,12,19H
InChIKeyFUZIHGXWYIZGTL-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.72
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
1-[1-[(3-Chloro-1-benzothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 81445019
(4-Bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829929
(3-Chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 103408271
(5-Chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol
CID 105119777
(5-Bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 105128594
1-(3-Phenyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128666
(5-Chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol
CID 107329866
(2,5-Dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol
CID 107964170
(2,5-Dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 107969884
(2,5-Dibromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 107969903
(2,5-Dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969906

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol (CID 107969904) is (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol is OC(c1cc(Cl)sc1Cl)c1cnnn1-c1ccccc1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is FUZIHGXWYIZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-11-6-9(13(15)20-11)12(19)10-7-16-17-18(10)8-4-2-1-3-5-8/h1-7,12,19H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 326.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 107969904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).