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

C15H15N3O2S — CID 79279431

IUPAC3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)c(OC)c1
InChIInChI=1S/C15H15N3O2S/c1-9-6-11-14(16-8-9)18(15(21)17-11)12-5-4-10(19-2)7-13(12)20-3/h4-8H,1-3H3,(H,17,21)
InChIKeySCHSSINZKVNKBX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.41
Rot. Bonds3

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

3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79279431) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79279431
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)c(OC)c1
InChIInChI=1S/C15H15N3O2S/c1-9-6-11-14(16-8-9)18(15(21)17-11)12-5-4-10(19-2)7-13(12)20-3/h4-8H,1-3H3,(H,17,21)
InChIKeySCHSSINZKVNKBX-UHFFFAOYSA-N
XLogP3.41
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.41
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

1-(2,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539193
1-(2,4-Dimethoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 763140
1-(2,4-Dimethoxyphenyl)-3-pyridin-2-ylthiourea
CID 800642
N-(2,4-dimethoxyphenyl)-N'-(4-methyl-2-pyridinyl)thiourea
CID 978071
1-(2,4-Dimethoxyphenyl)-3-(3-methylpyridin-2-yl)thiourea
CID 2237714
1-(cyclopropylmethyl)-N-(2,4-dimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
CID 162661977
N-(2,4-dimethoxyphenyl)-N'-3-pyridinylthiourea
CID 971566
N-(2,4-dimethoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
CID 3710239
3-(4-Methoxyphenyl)-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
CID 12445556
1-Cyclopentyl-6-(2,4-dimethoxyanilino)-3-methylimidazo[4,5-c]pyridin-2-one
CID 163220193
N-(2,4-Dimethoxyphenyl)-3-[2-(pyrrolidin-1-YL)pyridin-4-YL]propanamide
CID 83274810
1-(2,4-dimethoxyphenyl)-3-(3-(4-methyl-1H-imidazol-1-yl)propyl)thiourea
CID 25059513

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79279431) is 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is COc1ccc(-n2c(=S)[nH]c3cc(C)cnc32)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is SCHSSINZKVNKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-6-11-14(16-8-9)18(15(21)17-11)12-5-4-10(19-2)7-13(12)20-3/h4-8H,1-3H3,(H,17,21).
What are the key properties of 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 301.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79279431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).