1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C9H10ClN3OS — CID 107065648

IUPAC1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2sccc2Cl)nn1
InChIInChI=1S/C9H10ClN3OS/c1-13-5-6(11-12-13)4-8(14)9-7(10)2-3-15-9/h2-3,5,8,14H,4H2,1H3
InChIKeyHQOLFNYGRDLKTA-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.81
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107065648) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107065648
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2sccc2Cl)nn1
InChIInChI=1S/C9H10ClN3OS/c1-13-5-6(11-12-13)4-8(14)9-7(10)2-3-15-9/h2-3,5,8,14H,4H2,1H3
InChIKeyHQOLFNYGRDLKTA-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
2-[1-[(5-Chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62399618
2-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 63773552
1-(4-Chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 79427869
1-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 81443993
1-[1-[(5-Chlorothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 81445124
1-(5-Chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869685
1-(4-Chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870211
(4-Bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102830038
(4-Bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102830282
1-(4-Chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006427
1-(3-Chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027947

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107065648) is 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2sccc2Cl)nn1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is HQOLFNYGRDLKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-13-5-6(11-12-13)4-8(14)9-7(10)2-3-15-9/h2-3,5,8,14H,4H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 243.72 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).