(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid

C10H9BrClNO2S — CID 107774029

IUPAC(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccc(Br)cc2Cl)N1
InChIInChI=1S/C10H9BrClNO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)/t8-,9?/m1/s1
InChIKeyUJYJKYNMFSYZCT-VEDVMXKPSA-N
MW322.61 g/mol
LogP2.89
Rot. Bonds2

About (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107774029) has the molecular formula C10H9BrClNO2S and a molecular weight of 322.61 g/mol. Its IUPAC name is (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107774029
Molecular FormulaC10H9BrClNO2S
Molecular Weight322.61 g/mol
Exact Mass320.92
IUPAC Name(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccc(Br)cc2Cl)N1
InChIInChI=1S/C10H9BrClNO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)/t8-,9?/m1/s1
InChIKeyUJYJKYNMFSYZCT-VEDVMXKPSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 104881292
2-(5-bromo-3-chloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270129
(2S,4R)-2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728223
(2R,4R)-2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728224
2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 83229962
(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40649091
(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107773712
(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 704035
(2S,4S)-2-(5-bromo-2-prop-2-ynoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2275721
(2S,4S)-2-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728174
(2S,4S)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40574393
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 107774029) is (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(c2ccc(Br)cc2Cl)N1.
What is the InChIKey of (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UJYJKYNMFSYZCT-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H9BrClNO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)/t8-,9?/m1/s1.
What are the key properties of (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 322.61 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107774029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).