1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C9H10ClN3OS — CID 107045954

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(Cl)s2)nn1
InChIInChI=1S/C9H10ClN3OS/c1-13-5-6(11-12-13)4-7(14)8-2-3-9(10)15-8/h2-3,5,7,14H,4H2,1H3
InChIKeyQCXVOTGANXWYOM-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.81
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045954) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045954
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(Cl)s2)nn1
InChIInChI=1S/C9H10ClN3OS/c1-13-5-6(11-12-13)4-7(14)8-2-3-9(10)15-8/h2-3,5,7,14H,4H2,1H3
InChIKeyQCXVOTGANXWYOM-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

1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046515
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065654
(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
CID 130521639
1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045985
1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045816
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046180
2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
CID 107046422
1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047739
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150022
1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046440

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045954) is 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2ccc(Cl)s2)nn1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is QCXVOTGANXWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-13-5-6(11-12-13)4-7(14)8-2-3-9(10)15-8/h2-3,5,7,14H,4H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-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-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).