3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine

C14H16N4S — CID 81136141

IUPAC3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(Cc3cc(C)c(C)s3)c2n1
InChIInChI=1S/C14H16N4S/c1-8-6-11(19-10(8)3)7-18-13-12(17-14(18)15)5-4-9(2)16-13/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyIWLFMFLSIOAKQZ-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.05
Rot. Bonds2

About 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine

3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81136141) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81136141
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(Cc3cc(C)c(C)s3)c2n1
InChIInChI=1S/C14H16N4S/c1-8-6-11(19-10(8)3)7-18-13-12(17-14(18)15)5-4-9(2)16-13/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyIWLFMFLSIOAKQZ-UHFFFAOYSA-N
XLogP3.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81136141) is 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(Cc3cc(C)c(C)s3)c2n1.
What is the InChIKey of 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is IWLFMFLSIOAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-8-6-11(19-10(8)3)7-18-13-12(17-14(18)15)5-4-9(2)16-13/h4-6H,7H2,1-3H3,(H2,15,17).
What are the key properties of 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81136141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).