6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine

C13H11ClN4S — CID 107645396

IUPAC6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCSc1ccccc1-n1c(N)nc2cc(Cl)cnc21
InChIInChI=1S/C13H11ClN4S/c1-19-11-5-3-2-4-10(11)18-12-9(17-13(18)15)6-8(14)7-16-12/h2-7H,1H3,(H2,15,17)
InChIKeySZYYVZMBESLKKY-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.38
Rot. Bonds2

About 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine

6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 107645396) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID107645396
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCSc1ccccc1-n1c(N)nc2cc(Cl)cnc21
InChIInChI=1S/C13H11ClN4S/c1-19-11-5-3-2-4-10(11)18-12-9(17-13(18)15)6-8(14)7-16-12/h2-7H,1H3,(H2,15,17)
InChIKeySZYYVZMBESLKKY-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645393
6-chloro-3-(3-ethyl-1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 107463910
6-chloro-3-(2,4-dibromo-5-methoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 103415767
6-methoxy-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645401
6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
CID 107645395
5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine
CID 43659409
3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301249
6-bromo-3-(2-bromo-5-chlorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 81275226
6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 79306056
3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 104727548
6-chloro-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699389
3-(2,5-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301322

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine (CID 107645396) is 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine is CSc1ccccc1-n1c(N)nc2cc(Cl)cnc21.
What is the InChIKey of 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is SZYYVZMBESLKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-19-11-5-3-2-4-10(11)18-12-9(17-13(18)15)6-8(14)7-16-12/h2-7H,1H3,(H2,15,17).
What are the key properties of 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine?
6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 290.78 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 107645396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).