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

C12H15BrFNS — CID 82972720

IUPAC2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine
SMILESCCC1CSC(C)(c2ccc(Br)cc2F)N1
InChIInChI=1S/C12H15BrFNS/c1-3-9-7-16-12(2,15-9)10-5-4-8(13)6-11(10)14/h4-6,9,15H,3,7H2,1-2H3
InChIKeyMFUNONAFKJBTHT-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.88
Rot. Bonds2

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

2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine (PubChem CID 82972720) has the molecular formula C12H15BrFNS and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine
PubChem CID82972720
Molecular FormulaC12H15BrFNS
Molecular Weight304.23 g/mol
Exact Mass303.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine
SMILESCCC1CSC(C)(c2ccc(Br)cc2F)N1
InChIInChI=1S/C12H15BrFNS/c1-3-9-7-16-12(2,15-9)10-5-4-8(13)6-11(10)14/h4-6,9,15H,3,7H2,1-2H3
InChIKeyMFUNONAFKJBTHT-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107774044
N-[[2-(4-bromo-2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 82974071
4'-ethyl-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
CID 83069817
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 75537413
3-(4-bromo-2-fluorophenyl)-3-methyloxirane-2-carbonitrile
CID 130542000
6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64843737
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
N-[(4-bromo-2-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 43242863
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-(5-bromo-2-fluorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64961092
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64875773

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine (CID 82972720) is 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine is CCC1CSC(C)(c2ccc(Br)cc2F)N1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine?
The InChIKey is MFUNONAFKJBTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNS/c1-3-9-7-16-12(2,15-9)10-5-4-8(13)6-11(10)14/h4-6,9,15H,3,7H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine?
2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine has a molecular weight of 304.23 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-4-ethyl-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 82972720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).