4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

C10H16N4S — CID 21330764

IUPAC4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCCC1c2nc[nH]c2CCN1C(=S)NC
InChIInChI=1S/C10H16N4S/c1-3-8-9-7(12-6-13-9)4-5-14(8)10(15)11-2/h6,8H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyWSUXMDMWCSWUBD-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.22
Rot. Bonds1

About 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 21330764) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID21330764
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCCC1c2nc[nH]c2CCN1C(=S)NC
InChIInChI=1S/C10H16N4S/c1-3-8-9-7(12-6-13-9)4-5-14(8)10(15)11-2/h6,8H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyWSUXMDMWCSWUBD-UHFFFAOYSA-N
XLogP1.22
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (CID 21330764) is 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is CCC1c2nc[nH]c2CCN1C(=S)NC.
What is the InChIKey of 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is WSUXMDMWCSWUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-3-8-9-7(12-6-13-9)4-5-14(8)10(15)11-2/h6,8H,3-5H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 224.33 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 21330764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).