2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one

C10H11BrN2OS — CID 169086907

IUPAC2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one
SMILESO=C1NC2(CCCCC2)c2nc(Br)sc21
InChIInChI=1S/C10H11BrN2OS/c11-9-12-7-6(15-9)8(14)13-10(7)4-2-1-3-5-10/h1-5H2,(H,13,14)
InChIKeyJRMNJRNGGUXMPT-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.81
Rot. Bonds

About 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one

2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one (PubChem CID 169086907) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one.

Molecular Properties

Compound Name2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one
PubChem CID169086907
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one
SMILESO=C1NC2(CCCCC2)c2nc(Br)sc21
InChIInChI=1S/C10H11BrN2OS/c11-9-12-7-6(15-9)8(14)13-10(7)4-2-1-3-5-10/h1-5H2,(H,13,14)
InChIKeyJRMNJRNGGUXMPT-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one?
The IUPAC name of 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one (CID 169086907) is 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one.
What is the SMILES notation for 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one?
The canonical SMILES for 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one is O=C1NC2(CCCCC2)c2nc(Br)sc21.
What is the InChIKey of 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one?
The InChIKey is JRMNJRNGGUXMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c11-9-12-7-6(15-9)8(14)13-10(7)4-2-1-3-5-10/h1-5H2,(H,13,14).
What are the key properties of 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one?
2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one has a molecular weight of 287.18 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one is sourced from PubChem (CID 169086907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).