2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide

C8H7ClN4S — CID 82151278

IUPAC2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cn1cnc2cc(Cl)cnc21
InChIInChI=1S/C8H7ClN4S/c9-5-1-6-8(11-2-5)13(4-12-6)3-7(10)14/h1-2,4H,3H2,(H2,10,14)
InChIKeyMJOAOWXWHUYPQP-UHFFFAOYSA-N
MW226.69 g/mol
LogP1.37
Rot. Bonds2

About 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide

2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide (PubChem CID 82151278) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
PubChem CID82151278
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cn1cnc2cc(Cl)cnc21
InChIInChI=1S/C8H7ClN4S/c9-5-1-6-8(11-2-5)13(4-12-6)3-7(10)14/h1-2,4H,3H2,(H2,10,14)
InChIKeyMJOAOWXWHUYPQP-UHFFFAOYSA-N
XLogP1.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloroimidazo[4,5-b]pyridin-3-yl)butan-2-amine
CID 82144061
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
CID 82151314
2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
CID 82151317
3-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanethioamide
CID 94757877
3-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanethioamide
CID 82151206
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061401
3-(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanethioamide
CID 82151779
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150754
2-(6,8-dichloroimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82530701
3-(6-bromoimidazo[4,5-b]pyridin-3-yl)propan-1-ol
CID 82150912
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
CID 82151816
3-ethyl-6-methylsulfanylimidazo[4,5-b]pyridine
CID 122659319

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide (CID 82151278) is 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide is NC(=S)Cn1cnc2cc(Cl)cnc21.
What is the InChIKey of 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
The InChIKey is MJOAOWXWHUYPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-5-1-6-8(11-2-5)13(4-12-6)3-7(10)14/h1-2,4H,3H2,(H2,10,14).
What are the key properties of 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide has a molecular weight of 226.69 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 82151278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).