1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol

C9H9Cl2N3OS — CID 107970008

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cc(Cl)sc2Cl)nn1
InChIInChI=1S/C9H9Cl2N3OS/c1-14-4-5(12-13-14)2-7(15)6-3-8(10)16-9(6)11/h3-4,7,15H,2H2,1H3
InChIKeySNGNCOYVFKPLLE-UHFFFAOYSA-N
MW278.16 g/mol
LogP2.46
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107970008) has the molecular formula C9H9Cl2N3OS and a molecular weight of 278.16 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107970008
Molecular FormulaC9H9Cl2N3OS
Molecular Weight278.16 g/mol
Exact Mass276.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cc(Cl)sc2Cl)nn1
InChIInChI=1S/C9H9Cl2N3OS/c1-14-4-5(12-13-14)2-7(15)6-3-8(10)16-9(6)11/h3-4,7,15H,2H2,1H3
InChIKeySNGNCOYVFKPLLE-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
2-(1-Methyltriazol-4-yl)-1-thiophen-3-ylethanol
CID 107045842
1-(3-Methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045895
1-(5-Chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045954
1-(2,5-Dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045985
1-(4-Chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046160
1-(4-Bromo-5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046517
1-(4-Methylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048019
1-(5-Bromothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065564
1-(3-Chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065597
1-(5-Iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
1-(1-Methyltriazol-4-yl)-3-thiophen-3-ylpropan-2-ol
CID 107065632

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107970008) is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2cc(Cl)sc2Cl)nn1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is SNGNCOYVFKPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3OS/c1-14-4-5(12-13-14)2-7(15)6-3-8(10)16-9(6)11/h3-4,7,15H,2H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 278.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107970008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).