5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]

C11H12BrNS — CID 130501860

IUPAC5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
SMILESBrc1ccc2c(c1)C1(CC2)NCCS1
InChIInChI=1S/C11H12BrNS/c12-9-2-1-8-3-4-11(10(8)7-9)13-5-6-14-11/h1-2,7,13H,3-6H2
InChIKeyAZXQJJFUMCRBNX-UHFFFAOYSA-N
MW270.19 g/mol
LogP2.88
Rot. Bonds

About 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]

5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] (PubChem CID 130501860) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine].

Molecular Properties

Compound Name5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
PubChem CID130501860
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
SMILESBrc1ccc2c(c1)C1(CC2)NCCS1
InChIInChI=1S/C11H12BrNS/c12-9-2-1-8-3-4-11(10(8)7-9)13-5-6-14-11/h1-2,7,13H,3-6H2
InChIKeyAZXQJJFUMCRBNX-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
The IUPAC name of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] (CID 130501860) is 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine].
What is the SMILES notation for 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
The canonical SMILES for 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] is Brc1ccc2c(c1)C1(CC2)NCCS1.
What is the InChIKey of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
The InChIKey is AZXQJJFUMCRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c12-9-2-1-8-3-4-11(10(8)7-9)13-5-6-14-11/h1-2,7,13H,3-6H2.
What are the key properties of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]?
5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] has a molecular weight of 270.19 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine] is sourced from PubChem (CID 130501860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).