2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine

C8H11N5S — CID 61324702

IUPAC2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESc1cn(CCNCc2csnn2)cn1
InChIInChI=1S/C8H11N5S/c1(3-13-4-2-10-7-13)9-5-8-6-14-12-11-8/h2,4,6-7,9H,1,3,5H2
InChIKeyXVNHLMKZFKMVRG-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.52
Rot. Bonds5

About 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine

2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 61324702) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID61324702
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESc1cn(CCNCc2csnn2)cn1
InChIInChI=1S/C8H11N5S/c1(3-13-4-2-10-7-13)9-5-8-6-14-12-11-8/h2,4,6-7,9H,1,3,5H2
InChIKeyXVNHLMKZFKMVRG-UHFFFAOYSA-N
XLogP0.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine (CID 61324702) is 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine is c1cn(CCNCc2csnn2)cn1.
What is the InChIKey of 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is XVNHLMKZFKMVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1(3-13-4-2-10-7-13)9-5-8-6-14-12-11-8/h2,4,6-7,9H,1,3,5H2.
What are the key properties of 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 209.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 61324702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).