1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol

C9H10IN3OS — CID 107065610

IUPAC1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2csc(I)c2)nn1
InChIInChI=1S/C9H10IN3OS/c1-13-4-7(11-12-13)3-8(14)6-2-9(10)15-5-6/h2,4-5,8,14H,3H2,1H3
InChIKeyIDACUZIGYZSSCR-UHFFFAOYSA-N
MW335.17 g/mol
LogP1.76
Rot. Bonds3

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

1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107065610) has the molecular formula C9H10IN3OS and a molecular weight of 335.17 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107065610
Molecular FormulaC9H10IN3OS
Molecular Weight335.17 g/mol
Exact Mass334.96
IUPAC Name1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2csc(I)c2)nn1
InChIInChI=1S/C9H10IN3OS/c1-13-4-7(11-12-13)3-8(14)6-2-9(10)15-5-6/h2,4-5,8,14H,3H2,1H3
InChIKeyIDACUZIGYZSSCR-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066621
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-iodothiophen-3-yl)ethanol
CID 115828284
2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
CID 107046422
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-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046180
1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046515
1-(5-ethylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045958

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107065610) is 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2csc(I)c2)nn1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is IDACUZIGYZSSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3OS/c1-13-4-7(11-12-13)3-8(14)6-2-9(10)15-5-6/h2,4-5,8,14H,3H2,1H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 335.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).