(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone

C13H9NOS2 — CID 115791579

IUPAC(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCc1cncc(C(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C13H9NOS2/c1-8-4-9(7-14-6-8)13(15)12-5-11-10(17-12)2-3-16-11/h2-7H,1H3
InChIKeyOLBBPQSQMGVURZ-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.90
Rot. Bonds2

About (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone

(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 115791579) has the molecular formula C13H9NOS2 and a molecular weight of 259.36 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID115791579
Molecular FormulaC13H9NOS2
Molecular Weight259.36 g/mol
Exact Mass259.01
IUPAC Name(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCc1cncc(C(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C13H9NOS2/c1-8-4-9(7-14-6-8)13(15)12-5-11-10(17-12)2-3-16-11/h2-7H,1H3
InChIKeyOLBBPQSQMGVURZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone (CID 115791579) is (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone is Cc1cncc(C(=O)c2cc3sccc3s2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is OLBBPQSQMGVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS2/c1-8-4-9(7-14-6-8)13(15)12-5-11-10(17-12)2-3-16-11/h2-7H,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone?
(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 259.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 115791579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).