1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol

C14H13N3OS — CID 105089525

IUPAC1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c18-14(8-11-6-7-19-10-11)13-9-15-17(16-13)12-4-2-1-3-5-12/h1-7,9-10,14,18H,8H2
InChIKeyDBHFJJJYJJKVJM-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.60
Rot. Bonds4

About 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol

1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol (PubChem CID 105089525) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol
PubChem CID105089525
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c18-14(8-11-6-7-19-10-11)13-9-15-17(16-13)12-4-2-1-3-5-12/h1-7,9-10,14,18H,8H2
InChIKeyDBHFJJJYJJKVJM-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
2-(1-benzothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494725
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
(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

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol (CID 105089525) is 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
The InChIKey is DBHFJJJYJJKVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-14(8-11-6-7-19-10-11)13-9-15-17(16-13)12-4-2-1-3-5-12/h1-7,9-10,14,18H,8H2.
What are the key properties of 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol has a molecular weight of 271.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyltriazol-4-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105089525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).