2-(4-bromophenyl)-1,3-thiazolidine

C9H10BrNS — CID 2771064

IUPAC2-(4-bromophenyl)-1,3-thiazolidine
SMILESBrc1ccc(C2NCCS2)cc1
InChIInChI=1S/C9H10BrNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9,11H,5-6H2
InChIKeyYHMUSIBVYIZADU-UHFFFAOYSA-N
MW244.16 g/mol
LogP2.78
Rot. Bonds1

About 2-(4-bromophenyl)-1,3-thiazolidine

2-(4-bromophenyl)-1,3-thiazolidine (PubChem CID 2771064) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3-thiazolidine
PubChem CID2771064
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name2-(4-bromophenyl)-1,3-thiazolidine
SMILESBrc1ccc(C2NCCS2)cc1
InChIInChI=1S/C9H10BrNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9,11H,5-6H2
InChIKeyYHMUSIBVYIZADU-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3-thiazolidine?
The IUPAC name of 2-(4-bromophenyl)-1,3-thiazolidine (CID 2771064) is 2-(4-bromophenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromophenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromophenyl)-1,3-thiazolidine is Brc1ccc(C2NCCS2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,3-thiazolidine?
The InChIKey is YHMUSIBVYIZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9,11H,5-6H2.
What are the key properties of 2-(4-bromophenyl)-1,3-thiazolidine?
2-(4-bromophenyl)-1,3-thiazolidine has a molecular weight of 244.16 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3-thiazolidine is sourced from PubChem (CID 2771064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).