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

C10H10ClNO2S — CID 40649091

IUPAC(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](c2cccc(Cl)c2)N1
InChIInChI=1S/C10H10ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyZIAXCRNTOFXJPM-RKDXNWHRSA-N
MW243.72 g/mol
LogP2.13
Rot. Bonds2

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

(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 40649091) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID40649091
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC Name(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@H](c2cccc(Cl)c2)N1
InChIInChI=1S/C10H10ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyZIAXCRNTOFXJPM-RKDXNWHRSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107773712
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491
(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-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 81145914
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 83229962
(2R,4R)-2-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044847
(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774029
(4R)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 104881292
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 22332023
2-(2-oxo-1H-pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 68806425

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 40649091) is (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CS[C@H](c2cccc(Cl)c2)N1.
What is the InChIKey of (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZIAXCRNTOFXJPM-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 243.72 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 40649091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).