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

C9H11IN4S — CID 107064211

IUPAC1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2csc(I)c2)nn1
InChIInChI=1S/C9H11IN4S/c1-14-4-7(12-13-14)3-8(11)6-2-9(10)15-5-6/h2,4-5,8H,3,11H2,1H3
InChIKeyCFJAIJBWQUFNHB-UHFFFAOYSA-N
MW334.19 g/mol
LogP1.72
Rot. Bonds3

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

1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107064211) has the molecular formula C9H11IN4S and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107064211
Molecular FormulaC9H11IN4S
Molecular Weight334.19 g/mol
Exact Mass333.97
IUPAC Name1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2csc(I)c2)nn1
InChIInChI=1S/C9H11IN4S/c1-14-4-7(12-13-14)3-8(11)6-2-9(10)15-5-6/h2,4-5,8H,3,11H2,1H3
InChIKeyCFJAIJBWQUFNHB-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 51.72
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)ethanol
CID 107065610
[1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066621
2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 107064524
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
1-(5-iodothiophen-3-yl)propan-1-amine
CID 114980142
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063974
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105
1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048995
1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049288
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 107064195

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107064211) is 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine is Cn1cc(CC(N)c2csc(I)c2)nn1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is CFJAIJBWQUFNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4S/c1-14-4-7(12-13-14)3-8(11)6-2-9(10)15-5-6/h2,4-5,8H,3,11H2,1H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 334.19 g/mol, XLogP of 1.72, 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)ethanamine is sourced from PubChem (CID 107064211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).