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

C9H16N4S — CID 82394336

IUPAC3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(CN)n1c2c([nH]c1=S)CCNC2
InChIInChI=1S/C9H16N4S/c1-6(4-10)13-8-5-11-3-2-7(8)12-9(13)14/h6,11H,2-5,10H2,1H3,(H,12,14)
InChIKeyJSZYNXTZAJNRFD-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.71
Rot. Bonds2

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

3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 82394336) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
PubChem CID82394336
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(CN)n1c2c([nH]c1=S)CCNC2
InChIInChI=1S/C9H16N4S/c1-6(4-10)13-8-5-11-3-2-7(8)12-9(13)14/h6,11H,2-5,10H2,1H3,(H,12,14)
InChIKeyJSZYNXTZAJNRFD-UHFFFAOYSA-N
XLogP0.71
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione with MolForge

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Related Compounds

4-Amino-6,7-dimethyl-1,3,5,7a-tetrahydropyrrolo[3,2-d]pyrimidine-2-thione
CID 91594034
3,5,6-trimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 149027435
5-Methyl-1-piperidin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-2-thione
CID 163935619
3,5-dimethyl-2,4,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 174331543
3-(2-aminocyclohexyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
CID 82382190
3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
CID 82391463
1-(2-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
CID 82394337
1-(3-aminopropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
CID 82394338
3-(1-aminopropan-2-yl)-5-ethyl-4-methyl-1H-imidazole-2-thione
CID 82397607
1-(2-aminoethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-thione
CID 82398116
6-amino-3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-benzimidazole-2-thione
CID 83436464
1,3,4,5,6,7-Hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide
CID 154868587

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione (CID 82394336) is 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione is CC(CN)n1c2c([nH]c1=S)CCNC2.
What is the InChIKey of 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is JSZYNXTZAJNRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6(4-10)13-8-5-11-3-2-7(8)12-9(13)14/h6,11H,2-5,10H2,1H3,(H,12,14).
What are the key properties of 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 212.32 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 82394336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).