5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine

C18H16N2O2S — CID 134948007

IUPAC5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
SMILESCc1ccc(-c2sc(-c3ccc(C)cn3)c3c2OCCO3)nc1
InChIInChI=1S/C18H16N2O2S/c1-11-3-5-13(19-9-11)17-15-16(22-8-7-21-15)18(23-17)14-6-4-12(2)10-20-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMLIVNCJCSSYPJW-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.26
Rot. Bonds2

About 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine

5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine (PubChem CID 134948007) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
PubChem CID134948007
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine
SMILESCc1ccc(-c2sc(-c3ccc(C)cn3)c3c2OCCO3)nc1
InChIInChI=1S/C18H16N2O2S/c1-11-3-5-13(19-9-11)17-15-16(22-8-7-21-15)18(23-17)14-6-4-12(2)10-20-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMLIVNCJCSSYPJW-UHFFFAOYSA-N
XLogP4.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The IUPAC name of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine (CID 134948007) is 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine.
What is the SMILES notation for 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The canonical SMILES for 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine is Cc1ccc(-c2sc(-c3ccc(C)cn3)c3c2OCCO3)nc1.
What is the InChIKey of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
The InChIKey is MLIVNCJCSSYPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-3-5-13(19-9-11)17-15-16(22-8-7-21-15)18(23-17)14-6-4-12(2)10-20-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine?
5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine has a molecular weight of 324.41 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pyridine is sourced from PubChem (CID 134948007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).