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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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).