3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C16H17N3OS — CID 102906712

IUPAC3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCCc1ccccc1-n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C16H17N3OS/c1-11-9-13-15(17-10-11)19(16(21)18-13)14-6-4-3-5-12(14)7-8-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyDVAHFRQJBPVULM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.58
Rot. Bonds4

About 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 102906712) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID102906712
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCCc1ccccc1-n1c(=S)[nH]c2cc(C)cnc21
InChIInChI=1S/C16H17N3OS/c1-11-9-13-15(17-10-11)19(16(21)18-13)14-6-4-3-5-12(14)7-8-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyDVAHFRQJBPVULM-UHFFFAOYSA-N
XLogP3.58
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293910
3-(2-tert-butylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79278331
6-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79278498
3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79279431
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293547
3-(3,5-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79280153
3-(2-bromo-5-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 82757262
3-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301732
3-(2,5-difluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79294055
3-(2-chloro-4-iodophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107607187
3-(5-bromo-2-chlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79301383
6-methyl-3-(4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293038

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 102906712) is 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is COCCc1ccccc1-n1c(=S)[nH]c2cc(C)cnc21.
What is the InChIKey of 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is DVAHFRQJBPVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-9-13-15(17-10-11)19(16(21)18-13)14-6-4-3-5-12(14)7-8-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 299.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethyl)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 102906712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).