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

C19H17NO4S2 — CID 67989632

IUPAC2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESCc1sc(-c2ccc(-c3sc(C)c4c3OCCO4)nc2)c2c1OCCO2
InChIInChI=1S/C19H17NO4S2/c1-10-14-16(23-7-5-21-14)18(25-10)12-3-4-13(20-9-12)19-17-15(11(2)26-19)22-6-8-24-17/h3-4,9H,5-8H2,1-2H3
InChIKeyWOECHCJIUYDNBN-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.70
Rot. Bonds2

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

2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (PubChem CID 67989632) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.

Molecular Properties

Compound Name2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
PubChem CID67989632
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Name2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine
SMILESCc1sc(-c2ccc(-c3sc(C)c4c3OCCO4)nc2)c2c1OCCO2
InChIInChI=1S/C19H17NO4S2/c1-10-14-16(23-7-5-21-14)18(25-10)12-3-4-13(20-9-12)19-17-15(11(2)26-19)22-6-8-24-17/h3-4,9H,5-8H2,1-2H3
InChIKeyWOECHCJIUYDNBN-UHFFFAOYSA-N
XLogP4.70
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The IUPAC name of 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine (CID 67989632) is 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine.
What is the SMILES notation for 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The canonical SMILES for 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is Cc1sc(-c2ccc(-c3sc(C)c4c3OCCO4)nc2)c2c1OCCO2.
What is the InChIKey of 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
The InChIKey is WOECHCJIUYDNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-10-14-16(23-7-5-21-14)18(25-10)12-3-4-13(20-9-12)19-17-15(11(2)26-19)22-6-8-24-17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine?
2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine has a molecular weight of 387.48 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine is sourced from PubChem (CID 67989632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).