2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole

C13H9N3OS2 — CID 2999591

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2oc(SCc3cn4ccsc4n3)nc2c1
InChIInChI=1S/C13H9N3OS2/c1-2-4-11-10(3-1)15-13(17-11)19-8-9-7-16-5-6-18-12(16)14-9/h1-7H,8H2
InChIKeyYZVOIXPRROXYKO-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.83
Rot. Bonds3

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole (PubChem CID 2999591) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole
PubChem CID2999591
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2oc(SCc3cn4ccsc4n3)nc2c1
InChIInChI=1S/C13H9N3OS2/c1-2-4-11-10(3-1)15-13(17-11)19-8-9-7-16-5-6-18-12(16)14-9/h1-7H,8H2
InChIKeyYZVOIXPRROXYKO-UHFFFAOYSA-N
XLogP3.83
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole (CID 2999591) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole is c1ccc2oc(SCc3cn4ccsc4n3)nc2c1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole?
The InChIKey is YZVOIXPRROXYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c1-2-4-11-10(3-1)15-13(17-11)19-8-9-7-16-5-6-18-12(16)14-9/h1-7H,8H2.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole has a molecular weight of 287.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 2999591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).