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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 139686082
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
(3Z,5E)-1-(cyclopropylmethyl)-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-4-one
CID 51129084
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2598370
4-[[4-[(3-methoxyphenyl)methylidene]piperidin-1-yl]methyl]benzoic acid
CID 122029416
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
butanoic acid;3-methoxybenzaldehyde
CID 143463014
(E)-6-(3-methoxyphenyl)hex-5-en-3-one
CID 71490780
(E)-1-(3,4-dihydroxypyrrolidin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 106671102
tert-butyl 2-[(5E)-5-[(3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 6490521

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).