2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol

C16H17N3OS — CID 105087725

IUPAC2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cnn(-c3ccccc3)n2)s1
InChIInChI=1S/C16H17N3OS/c1-2-13-8-9-14(21-13)10-16(20)15-11-17-19(18-15)12-6-4-3-5-7-12/h3-9,11,16,20H,2,10H2,1H3
InChIKeyAKZCJDILEICPFV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.17
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol

2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol (PubChem CID 105087725) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
PubChem CID105087725
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cnn(-c3ccccc3)n2)s1
InChIInChI=1S/C16H17N3OS/c1-2-13-8-9-14(21-13)10-16(20)15-11-17-19(18-15)12-6-4-3-5-7-12/h3-9,11,16,20H,2,10H2,1H3
InChIKeyAKZCJDILEICPFV-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.17
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
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-thiophen-2-yl-1-(2H-triazol-4-yl)ethanol
CID 80494847
2-(5-ethylthiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494933
3-thiophen-2-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494972
(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)octan-1-ol
CID 105085087
1-(2-Phenyltriazol-4-yl)nonan-1-ol
CID 105085805
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 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol (CID 105087725) is 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol is CCc1ccc(CC(O)c2cnn(-c3ccccc3)n2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
The InChIKey is AKZCJDILEICPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-13-8-9-14(21-13)10-16(20)15-11-17-19(18-15)12-6-4-3-5-7-12/h3-9,11,16,20H,2,10H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol has a molecular weight of 299.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 105087725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).