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

C14H11Cl2N3S — CID 104727531

IUPAC3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H11Cl2N3S/c1-7-3-11-13(17-6-7)19(14(20)18-11)12-5-9(15)8(2)4-10(12)16/h3-6H,1-2H3,(H,18,20)
InChIKeyFAMZGTCUUUOTNM-UHFFFAOYSA-N
MW324.24 g/mol
LogP5.01
Rot. Bonds1

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

3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 104727531) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID104727531
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1cnc2c(c1)[nH]c(=S)n2-c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H11Cl2N3S/c1-7-3-11-13(17-6-7)19(14(20)18-11)12-5-9(15)8(2)4-10(12)16/h3-6H,1-2H3,(H,18,20)
InChIKeyFAMZGTCUUUOTNM-UHFFFAOYSA-N
XLogP5.01
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-(3,4-dichlorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293181
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293547
3-(2,6-dichloro-4-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 83077983
3-(2-bromo-5-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 82757262
4-chloro-2-(6-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 79301387
3-(2,5-difluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79294055
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
3-(2,4-dimethoxyphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79279431
6-methyl-3-quinolin-8-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79278498

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 104727531) is 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1cnc2c(c1)[nH]c(=S)n2-c1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is FAMZGTCUUUOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-7-3-11-13(17-6-7)19(14(20)18-11)12-5-9(15)8(2)4-10(12)16/h3-6H,1-2H3,(H,18,20).
What are the key properties of 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 324.24 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-4-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 104727531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).