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

C11H6ClN3O2S3 — CID 141196349

IUPAC6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1ccc2sccc21
InChIInChI=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
InChIKeyGSISYKHTOBOKHP-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.30
Rot. Bonds2

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 Name6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole
PubChem CID141196349
Molecular FormulaC11H6ClN3O2S3
Molecular Weight343.84 g/mol
Exact Mass342.93
IUPAC Name6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1ccc2sccc21
InChIInChI=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
InChIKeyGSISYKHTOBOKHP-UHFFFAOYSA-N
XLogP3.30
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]propan-1-amine
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6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
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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).