6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole

C12H14BrN3S — CID 178051024

IUPAC6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole
SMILESBrc1cn2cc(C3CC4(CCNC4)C3)nc2s1
InChIInChI=1S/C12H14BrN3S/c13-10-6-16-5-9(15-11(16)17-10)8-3-12(4-8)1-2-14-7-12/h5-6,8,14H,1-4,7H2
InChIKeyINDOPIKWIRWPOS-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.02
Rot. Bonds1

About 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole

6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole (PubChem CID 178051024) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole
PubChem CID178051024
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole
SMILESBrc1cn2cc(C3CC4(CCNC4)C3)nc2s1
InChIInChI=1S/C12H14BrN3S/c13-10-6-16-5-9(15-11(16)17-10)8-3-12(4-8)1-2-14-7-12/h5-6,8,14H,1-4,7H2
InChIKeyINDOPIKWIRWPOS-UHFFFAOYSA-N
XLogP3.02
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole (CID 178051024) is 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole is Brc1cn2cc(C3CC4(CCNC4)C3)nc2s1.
What is the InChIKey of 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole?
The InChIKey is INDOPIKWIRWPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-10-6-16-5-9(15-11(16)17-10)8-3-12(4-8)1-2-14-7-12/h5-6,8,14H,1-4,7H2.
What are the key properties of 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole?
6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole has a molecular weight of 312.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[3.4]octan-2-yl)-2-bromoimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178051024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).