6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione

C11H14ClN3O2S — CID 114101010

IUPAC6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCC(Cn1c(=S)[nH]c2cc(Cl)cnc21)OC
InChIInChI=1S/C11H14ClN3O2S/c1-16-6-8(17-2)5-15-10-9(14-11(15)18)3-7(12)4-13-10/h3-4,8H,5-6H2,1-2H3,(H,14,18)
InChIKeyZPJQBHJXMKMKNR-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.41
Rot. Bonds5

About 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione

6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 114101010) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID114101010
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCC(Cn1c(=S)[nH]c2cc(Cl)cnc21)OC
InChIInChI=1S/C11H14ClN3O2S/c1-16-6-8(17-2)5-15-10-9(14-11(15)18)3-7(12)4-13-10/h3-4,8H,5-6H2,1-2H3,(H,14,18)
InChIKeyZPJQBHJXMKMKNR-UHFFFAOYSA-N
XLogP2.41
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(3-methyl-2-propan-2-ylbutyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 102906759
6-chloro-3-(2-prop-2-enoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114264734
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306823
3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301732
6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106419422
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114184770
6-chloro-3-(3-methoxycyclopentyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 114118168
6-chloro-3-(3-methylpentan-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106328875
6-methyl-3-(2-phenylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 104591854
6-bromo-3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306326
6-methyl-3-(7-methyloctyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 107816876
6-bromo-3-ethyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306089

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 114101010) is 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione is COCC(Cn1c(=S)[nH]c2cc(Cl)cnc21)OC.
What is the InChIKey of 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is ZPJQBHJXMKMKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-16-6-8(17-2)5-15-10-9(14-11(15)18)3-7(12)4-13-10/h3-4,8H,5-6H2,1-2H3,(H,14,18).
What are the key properties of 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 287.77 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dimethoxypropyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 114101010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).