1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione

C8H14N4S — CID 82398116

IUPAC1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
SMILESNCCn1c2c([nH]c1=S)CNCC2
InChIInChI=1S/C8H14N4S/c9-2-4-12-7-1-3-10-5-6(7)11-8(12)13/h10H,1-5,9H2,(H,11,13)
InChIKeyCUQWLAYEQMFYMU-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.15
Rot. Bonds2

About 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione

1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 82398116) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID82398116
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
SMILESNCCn1c2c([nH]c1=S)CNCC2
InChIInChI=1S/C8H14N4S/c9-2-4-12-7-1-3-10-5-6(7)11-8(12)13/h10H,1-5,9H2,(H,11,13)
InChIKeyCUQWLAYEQMFYMU-UHFFFAOYSA-N
XLogP0.15
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione (CID 82398116) is 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione is NCCn1c2c([nH]c1=S)CNCC2.
What is the InChIKey of 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is CUQWLAYEQMFYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c9-2-4-12-7-1-3-10-5-6(7)11-8(12)13/h10H,1-5,9H2,(H,11,13).
What are the key properties of 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione?
1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 198.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 82398116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).