2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid

C11H11Cl2NO2S — CID 139440669

IUPAC2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid
SMILESO=C(O)CC1CSC(c2cccc(Cl)c2Cl)N1
InChIInChI=1S/C11H11Cl2NO2S/c12-8-3-1-2-7(10(8)13)11-14-6(5-17-11)4-9(15)16/h1-3,6,11,14H,4-5H2,(H,15,16)
InChIKeyAJPJCHCCWNIMLU-UHFFFAOYSA-N
MW292.19 g/mol
LogP3.17
Rot. Bonds3

About 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid

2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid (PubChem CID 139440669) has the molecular formula C11H11Cl2NO2S and a molecular weight of 292.19 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid
PubChem CID139440669
Molecular FormulaC11H11Cl2NO2S
Molecular Weight292.19 g/mol
Exact Mass290.99
IUPAC Name2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid
SMILESO=C(O)CC1CSC(c2cccc(Cl)c2Cl)N1
InChIInChI=1S/C11H11Cl2NO2S/c12-8-3-1-2-7(10(8)13)11-14-6(5-17-11)4-9(15)16/h1-3,6,11,14H,4-5H2,(H,15,16)
InChIKeyAJPJCHCCWNIMLU-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazolidine
CID 66231451
2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83912755
2-(2,3-dichlorophenyl)-1,3-thiazinane
CID 66220231
2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 3141767
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704676
(4R)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 104881292
(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774029
(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 739068
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane
CID 20975324
(3R,4S)-4-(2,3-dichlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972019
2-[4-[(2-chloro-6-hydroxyphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 113277191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid (CID 139440669) is 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid is O=C(O)CC1CSC(c2cccc(Cl)c2Cl)N1.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid?
The InChIKey is AJPJCHCCWNIMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S/c12-8-3-1-2-7(10(8)13)11-14-6(5-17-11)4-9(15)16/h1-3,6,11,14H,4-5H2,(H,15,16).
What are the key properties of 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid?
2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid has a molecular weight of 292.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid is sourced from PubChem (CID 139440669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).