7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione

C11H17N5S — CID 71023710

IUPAC7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione
SMILESN[C@@H]1CCCN(C2=c3[nH]c(=S)[nH]c3=NCC2)C1
InChIInChI=1S/C11H17N5S/c12-7-2-1-5-16(6-7)8-3-4-13-10-9(8)14-11(17)15-10/h7H,1-6,12H2,(H2,13,14,15,17)/t7-/m1/s1
InChIKeyQJFUYNXQFPYAQK-SSDOTTSWSA-N
MW251.36 g/mol
LogP-0.37
Rot. Bonds1

About 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione

7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione (PubChem CID 71023710) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione
PubChem CID71023710
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione
SMILESN[C@@H]1CCCN(C2=c3[nH]c(=S)[nH]c3=NCC2)C1
InChIInChI=1S/C11H17N5S/c12-7-2-1-5-16(6-7)8-3-4-13-10-9(8)14-11(17)15-10/h7H,1-6,12H2,(H2,13,14,15,17)/t7-/m1/s1
InChIKeyQJFUYNXQFPYAQK-SSDOTTSWSA-N
XLogP-0.37
TPSA73.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 5-0.37
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 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione (CID 71023710) is 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione is N[C@@H]1CCCN(C2=c3[nH]c(=S)[nH]c3=NCC2)C1.
What is the InChIKey of 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione?
The InChIKey is QJFUYNXQFPYAQK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N5S/c12-7-2-1-5-16(6-7)8-3-4-13-10-9(8)14-11(17)15-10/h7H,1-6,12H2,(H2,13,14,15,17)/t7-/m1/s1.
What are the key properties of 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione?
7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione has a molecular weight of 251.36 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-aminopiperidin-1-yl]-1,3,5,6-tetrahydroimidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 71023710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).