2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole

C13H8ClN3OS2 — CID 2133717

IUPAC2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1c(CSc2nc3ccccc3o2)nc2sccn12
InChIInChI=1S/C13H8ClN3OS2/c14-11-9(15-12-17(11)5-6-19-12)7-20-13-16-8-3-1-2-4-10(8)18-13/h1-6H,7H2
InChIKeyOTIAKHIRDYQMPT-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.48
Rot. Bonds3

About 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole

2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 2133717) has the molecular formula C13H8ClN3OS2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID2133717
Molecular FormulaC13H8ClN3OS2
Molecular Weight321.81 g/mol
Exact Mass320.98
IUPAC Name2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1c(CSc2nc3ccccc3o2)nc2sccn12
InChIInChI=1S/C13H8ClN3OS2/c14-11-9(15-12-17(11)5-6-19-12)7-20-13-16-8-3-1-2-4-10(8)18-13/h1-6H,7H2
InChIKeyOTIAKHIRDYQMPT-UHFFFAOYSA-N
XLogP4.48
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole (CID 2133717) is 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole is Clc1c(CSc2nc3ccccc3o2)nc2sccn12.
What is the InChIKey of 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is OTIAKHIRDYQMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS2/c14-11-9(15-12-17(11)5-6-19-12)7-20-13-16-8-3-1-2-4-10(8)18-13/h1-6H,7H2.
What are the key properties of 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 321.81 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 2133717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).