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

C13H10BrN3OS2 — CID 6603265

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide
SMILESBr.c1ccc2oc(SCc3cn4ccsc4n3)nc2c1
InChIInChI=1S/C13H9N3OS2.BrH/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;1H
InChIKeyUTIUQVVXXKIAHM-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.41
Rot. Bonds3

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

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide (PubChem CID 6603265) has the molecular formula C13H10BrN3OS2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide
PubChem CID6603265
Molecular FormulaC13H10BrN3OS2
Molecular Weight368.28 g/mol
Exact Mass366.94
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide
SMILESBr.c1ccc2oc(SCc3cn4ccsc4n3)nc2c1
InChIInChI=1S/C13H9N3OS2.BrH/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;1H
InChIKeyUTIUQVVXXKIAHM-UHFFFAOYSA-N
XLogP4.41
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.41
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;hydrobromide?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide (CID 6603265) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide is Br.c1ccc2oc(SCc3cn4ccsc4n3)nc2c1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide?
The InChIKey is UTIUQVVXXKIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2.BrH/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;1H.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3-benzoxazole;hydrobromide has a molecular weight of 368.28 g/mol, XLogP of 4.41, 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;hydrobromide is sourced from PubChem (CID 6603265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).