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

C9H9BrFNS — CID 129367461

IUPAC(2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine
SMILESFc1ccc([C@H]2NCCS2)cc1Br
InChIInChI=1S/C9H9BrFNS/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyKYTCQIPGSFKRFL-VIFPVBQESA-N
MW262.15 g/mol
LogP2.92
Rot. Bonds1

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

(2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine (PubChem CID 129367461) has the molecular formula C9H9BrFNS and a molecular weight of 262.15 g/mol. Its IUPAC name is (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine
PubChem CID129367461
Molecular FormulaC9H9BrFNS
Molecular Weight262.15 g/mol
Exact Mass260.96
IUPAC Name(2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine
SMILESFc1ccc([C@H]2NCCS2)cc1Br
InChIInChI=1S/C9H9BrFNS/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1
InChIKeyKYTCQIPGSFKRFL-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

2-(p-Bromophenyl)thiazolidine
CID 2771064
2-Phenylthiazolidine
CID 20706
2-(3-Bromophenyl)thiazolidine
CID 128756
N-(3-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834209
5-Methyl-2-phenylthiazolidine
CID 576329
Thiazolidine, 2-(p-fluorophenyl)-
CID 3050852
4-(3-Bromo-4-fluorobenzyl)thiomorpholine
CID 792595
2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 157292
Thiazolidine, 2-(m-fluorophenyl)-
CID 3050853
2-(4-Fluorophenyl)-2-methyl-1,3-thiazolidine
CID 3050892
Thiazolidine, 2-(4-fluorophenyl)-5-methyl-
CID 3087738
[(5-Bromo-2-fluorophenyl)methyl](prop-2-en-1-yl)amine
CID 28419754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine (CID 129367461) is (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine is Fc1ccc([C@H]2NCCS2)cc1Br.
What is the InChIKey of (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine?
The InChIKey is KYTCQIPGSFKRFL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9BrFNS/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2/t9-/m0/s1.
What are the key properties of (2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine?
(2S)-2-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-1,3-thiazolidine is sourced from PubChem (CID 129367461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).