5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole

C12H10N4S4 — CID 138858100

IUPAC5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2c(SCCSc3cnc4sccn34)cnc2s1
InChIInChI=1S/C12H10N4S4/c1-3-19-11-13-7-9(15(1)11)17-5-6-18-10-8-14-12-16(10)2-4-20-12/h1-4,7-8H,5-6H2
InChIKeyZYKYTVJHIXVFEK-UHFFFAOYSA-N
MW338.51 g/mol
LogP3.99
Rot. Bonds5

About 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole

5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 138858100) has the molecular formula C12H10N4S4 and a molecular weight of 338.51 g/mol. Its IUPAC name is 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole
PubChem CID138858100
Molecular FormulaC12H10N4S4
Molecular Weight338.51 g/mol
Exact Mass337.98
IUPAC Name5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2c(SCCSc3cnc4sccn34)cnc2s1
InChIInChI=1S/C12H10N4S4/c1-3-19-11-13-7-9(15(1)11)17-5-6-18-10-8-14-12-16(10)2-4-20-12/h1-4,7-8H,5-6H2
InChIKeyZYKYTVJHIXVFEK-UHFFFAOYSA-N
XLogP3.99
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole (CID 138858100) is 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole is c1cn2c(SCCSc3cnc4sccn34)cnc2s1.
What is the InChIKey of 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZYKYTVJHIXVFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S4/c1-3-19-11-13-7-9(15(1)11)17-5-6-18-10-8-14-12-16(10)2-4-20-12/h1-4,7-8H,5-6H2.
What are the key properties of 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole?
5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 338.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazo[2,1-b][1,3]thiazol-5-ylsulfanylethylsulfanyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 138858100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).