2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine

C13H12N2OS — CID 154681301

IUPAC2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(Cc2ccco2)sc2c(N)ccnc12
InChIInChI=1S/C13H12N2OS/c1-8-11(7-9-3-2-6-16-9)17-13-10(14)4-5-15-12(8)13/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyIBTFSLIDVNHFFG-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.37
Rot. Bonds2

About 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine

2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (PubChem CID 154681301) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
PubChem CID154681301
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
SMILESCc1c(Cc2ccco2)sc2c(N)ccnc12
InChIInChI=1S/C13H12N2OS/c1-8-11(7-9-3-2-6-16-9)17-13-10(14)4-5-15-12(8)13/h2-6H,7H2,1H3,(H2,14,15)
InChIKeyIBTFSLIDVNHFFG-UHFFFAOYSA-N
XLogP3.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine (CID 154681301) is 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is Cc1c(Cc2ccco2)sc2c(N)ccnc12.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
The InChIKey is IBTFSLIDVNHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-8-11(7-9-3-2-6-16-9)17-13-10(14)4-5-15-12(8)13/h2-6H,7H2,1H3,(H2,14,15).
What are the key properties of 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine?
2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine has a molecular weight of 244.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 154681301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).