1H-imidazo[4,5-b]pyridine-2-carbothioamide

C7H6N4S — CID 86130577

IUPAC1H-imidazo[4,5-b]pyridine-2-carbothioamide
SMILESNC(=S)c1nc2ncccc2[nH]1
InChIInChI=1S/C7H6N4S/c8-5(12)7-10-4-2-1-3-9-6(4)11-7/h1-3H,(H2,8,12)(H,9,10,11)
InChIKeySLZXXPCEHIXJFX-UHFFFAOYSA-N
MW178.22 g/mol
LogP0.59
Rot. Bonds1

About 1H-imidazo[4,5-b]pyridine-2-carbothioamide

1H-imidazo[4,5-b]pyridine-2-carbothioamide (PubChem CID 86130577) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridine-2-carbothioamide.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridine-2-carbothioamide
PubChem CID86130577
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name1H-imidazo[4,5-b]pyridine-2-carbothioamide
SMILESNC(=S)c1nc2ncccc2[nH]1
InChIInChI=1S/C7H6N4S/c8-5(12)7-10-4-2-1-3-9-6(4)11-7/h1-3H,(H2,8,12)(H,9,10,11)
InChIKeySLZXXPCEHIXJFX-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1H-imidazo[4,5-b]pyridine-2-carbothioamide?
The IUPAC name of 1H-imidazo[4,5-b]pyridine-2-carbothioamide (CID 86130577) is 1H-imidazo[4,5-b]pyridine-2-carbothioamide.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridine-2-carbothioamide?
The canonical SMILES for 1H-imidazo[4,5-b]pyridine-2-carbothioamide is NC(=S)c1nc2ncccc2[nH]1.
What is the InChIKey of 1H-imidazo[4,5-b]pyridine-2-carbothioamide?
The InChIKey is SLZXXPCEHIXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c8-5(12)7-10-4-2-1-3-9-6(4)11-7/h1-3H,(H2,8,12)(H,9,10,11).
What are the key properties of 1H-imidazo[4,5-b]pyridine-2-carbothioamide?
1H-imidazo[4,5-b]pyridine-2-carbothioamide has a molecular weight of 178.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridine-2-carbothioamide is sourced from PubChem (CID 86130577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).