2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine

C10H11BrFNS — CID 66219888

IUPAC2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine
SMILESCC1CSC(c2ccc(F)c(Br)c2)N1
InChIInChI=1S/C10H11BrFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-4,6,10,13H,5H2,1H3
InChIKeyUZOIWOSSHKMYJN-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.31
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine

2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine (PubChem CID 66219888) has the molecular formula C10H11BrFNS and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine
PubChem CID66219888
Molecular FormulaC10H11BrFNS
Molecular Weight276.17 g/mol
Exact Mass274.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine
SMILESCC1CSC(c2ccc(F)c(Br)c2)N1
InChIInChI=1S/C10H11BrFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-4,6,10,13H,5H2,1H3
InChIKeyUZOIWOSSHKMYJN-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine (CID 66219888) is 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine is CC1CSC(c2ccc(F)c(Br)c2)N1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine?
The InChIKey is UZOIWOSSHKMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNS/c1-6-5-14-10(13-6)7-2-3-9(12)8(11)4-7/h2-4,6,10,13H,5H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine?
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine has a molecular weight of 276.17 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazolidine is sourced from PubChem (CID 66219888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).