2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

C15H11BrN4OS2 — CID 7114123

IUPAC2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1csc2nc(CSc3nnc(-c4ccccc4)o3)c(Br)n12
InChIInChI=1S/C15H11BrN4OS2/c1-9-7-22-14-17-11(12(16)20(9)14)8-23-15-19-18-13(21-15)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyUCNYWRDRTMATKX-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.81
Rot. Bonds4

About 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 7114123) has the molecular formula C15H11BrN4OS2 and a molecular weight of 407.32 g/mol. Its IUPAC name is 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID7114123
Molecular FormulaC15H11BrN4OS2
Molecular Weight407.32 g/mol
Exact Mass405.96
IUPAC Name2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1csc2nc(CSc3nnc(-c4ccccc4)o3)c(Br)n12
InChIInChI=1S/C15H11BrN4OS2/c1-9-7-22-14-17-11(12(16)20(9)14)8-23-15-19-18-13(21-15)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyUCNYWRDRTMATKX-UHFFFAOYSA-N
XLogP4.81
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 7114123) is 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is Cc1csc2nc(CSc3nnc(-c4ccccc4)o3)c(Br)n12.
What is the InChIKey of 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UCNYWRDRTMATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4OS2/c1-9-7-22-14-17-11(12(16)20(9)14)8-23-15-19-18-13(21-15)10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 407.32 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 7114123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).