2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid

C13H15NO3S — CID 139686110

IUPAC2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
SMILESCOc1cccc(C=C2CN(CC(=O)O)CS2)c1
InChIInChI=1S/C13H15NO3S/c1-17-11-4-2-3-10(5-11)6-12-7-14(9-18-12)8-13(15)16/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyILQHJZMQEXUORP-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.13
Rot. Bonds4

About 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid

2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 139686110) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
PubChem CID139686110
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
SMILESCOc1cccc(C=C2CN(CC(=O)O)CS2)c1
InChIInChI=1S/C13H15NO3S/c1-17-11-4-2-3-10(5-11)6-12-7-14(9-18-12)8-13(15)16/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyILQHJZMQEXUORP-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid (CID 139686110) is 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid is COc1cccc(C=C2CN(CC(=O)O)CS2)c1.
What is the InChIKey of 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is ILQHJZMQEXUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-17-11-4-2-3-10(5-11)6-12-7-14(9-18-12)8-13(15)16/h2-6H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 265.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 139686110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).