2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine

C10H13IN4S — CID 105002287

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCn1ncnc1CC(N)c1csc(I)c1
InChIInChI=1S/C10H13IN4S/c1-2-15-10(13-6-14-15)4-8(12)7-3-9(11)16-5-7/h3,5-6,8H,2,4,12H2,1H3
InChIKeyLALLVGHACHZGJY-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine (PubChem CID 105002287) has the molecular formula C10H13IN4S and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine
PubChem CID105002287
Molecular FormulaC10H13IN4S
Molecular Weight348.21 g/mol
Exact Mass347.99
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCn1ncnc1CC(N)c1csc(I)c1
InChIInChI=1S/C10H13IN4S/c1-2-15-10(13-6-14-15)4-8(12)7-3-9(11)16-5-7/h3,5-6,8H,2,4,12H2,1H3
InChIKeyLALLVGHACHZGJY-UHFFFAOYSA-N
XLogP2.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001811
1-(4-tert-butylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002222
1-(3-bromo-5-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002041
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(5-iodothiophen-3-yl)propan-1-amine
CID 114980142
1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109063
1-(3-bromothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002274
1-(5-ethylfuran-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001972
1-(2,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001942
1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002034
(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530394
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine (CID 105002287) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine is CCn1ncnc1CC(N)c1csc(I)c1.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine?
The InChIKey is LALLVGHACHZGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4S/c1-2-15-10(13-6-14-15)4-8(12)7-3-9(11)16-5-7/h3,5-6,8H,2,4,12H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine has a molecular weight of 348.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine is sourced from PubChem (CID 105002287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).