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

C9H9BrFNS — CID 28775421

IUPAC(2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine
SMILESFc1cc(Br)ccc1[C@H]1NCCS1
InChIInChI=1S/C9H9BrFNS/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyFDAOCLFUOJJQOV-VIFPVBQESA-N
MW262.15 g/mol
LogP2.92
Rot. Bonds1

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

(2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine (PubChem CID 28775421) has the molecular formula C9H9BrFNS and a molecular weight of 262.15 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine
PubChem CID28775421
Molecular FormulaC9H9BrFNS
Molecular Weight262.15 g/mol
Exact Mass260.96
IUPAC Name(2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine
SMILESFc1cc(Br)ccc1[C@H]1NCCS1
InChIInChI=1S/C9H9BrFNS/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyFDAOCLFUOJJQOV-VIFPVBQESA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,5-difluorophenyl)-1,3-thiazolidine
CID 129367470
(2R)-2-(4-fluorophenyl)-1,3-thiazolidine
CID 42544128
2-(3-bromo-4-methylphenyl)-1,3-thiazolidine
CID 105403203
(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 129367454
3-(4-bromo-2-fluorophenyl)cyclobutan-1-one
CID 82974023
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
4-bromo-1-cyclobutyl-2-fluorobenzene
CID 130893148
4-bromo-1-cyclopentyl-2-fluorobenzene
CID 122471293
2-(5-bromo-2-fluorophenyl)-6-methyl-1,3-thiazinane
CID 66225572
2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride
CID 126475922
2-(3-phenoxyphenyl)-1,3-thiazolidine
CID 62140518
4-(4-bromo-2-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 42648455

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine (CID 28775421) is (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine is Fc1cc(Br)ccc1[C@H]1NCCS1.
What is the InChIKey of (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine?
The InChIKey is FDAOCLFUOJJQOV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9BrFNS/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine?
(2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine has a molecular weight of 262.15 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-fluorophenyl)-1,3-thiazolidine is sourced from PubChem (CID 28775421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).