7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine

C16H11NS3 — CID 44606945

IUPAC7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine
SMILESCc1nc(-c2cccs2)c(-c2cccs2)c2ccsc12
InChIInChI=1S/C16H11NS3/c1-10-16-11(6-9-20-16)14(12-4-2-7-18-12)15(17-10)13-5-3-8-19-13/h2-9H,1H3
InChIKeyBBLQOPVQXWJBOX-UHFFFAOYSA-N
MW313.47 g/mol
LogP6.06
Rot. Bonds2

About 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine

7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine (PubChem CID 44606945) has the molecular formula C16H11NS3 and a molecular weight of 313.47 g/mol. Its IUPAC name is 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine
PubChem CID44606945
Molecular FormulaC16H11NS3
Molecular Weight313.47 g/mol
Exact Mass313.01
IUPAC Name7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine
SMILESCc1nc(-c2cccs2)c(-c2cccs2)c2ccsc12
InChIInChI=1S/C16H11NS3/c1-10-16-11(6-9-20-16)14(12-4-2-7-18-12)15(17-10)13-5-3-8-19-13/h2-9H,1H3
InChIKeyBBLQOPVQXWJBOX-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine?
The IUPAC name of 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine (CID 44606945) is 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine?
The canonical SMILES for 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine is Cc1nc(-c2cccs2)c(-c2cccs2)c2ccsc12.
What is the InChIKey of 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine?
The InChIKey is BBLQOPVQXWJBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS3/c1-10-16-11(6-9-20-16)14(12-4-2-7-18-12)15(17-10)13-5-3-8-19-13/h2-9H,1H3.
What are the key properties of 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine?
7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine has a molecular weight of 313.47 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5-dithiophen-2-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 44606945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).