6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole

C₁₁H₆ClN₃O₂S₃ — CID 141196349

About 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole

6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole (PubChem CID 141196349) has the molecular formula C₁₁H₆ClN₃O₂S₃ and a molecular weight of 343.84 g/mol. Its IUPAC name is 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole
• PubChem CID: 141196349
• Molecular Formula: C₁₁H₆ClN₃O₂S₃
• Molecular Weight: 343.84 g/mol
• Exact Mass: 342.93
• IUPAC Name: 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole
• SMILES: O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2sccc21
• InChI: InChI=1S/C11H6ClN3O2S3/c12-9-10(14-4-6-19-11(14)13-9)20(16,17)15-3-1-8-7(15)2-5-18-8/h1-6H
• InChIKey: GSISYKHTOBOKHP-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 56.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.84
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole?

The IUPAC name of 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole (CID 141196349) is 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2sccc21.

What is the InChIKey of 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole?

The InChIKey is GSISYKHTOBOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S3/c12-9-10(14-4-6-19-11(14)13-9)20(16,17)15-3-1-8-7(15)2-5-18-8/h1-6H.

What are the key properties of 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole?

6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole has a molecular weight of 343.84 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 141196349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141196349 — identifiers, structure, computed properties (public domain)

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