2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid

C18H15NO5S — CID 154356336

IUPAC2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(CN3C(=O)CSC3=O)cc2)cc1
InChIInChI=1S/C18H15NO5S/c20-16-11-25-18(23)19(16)10-13-3-7-15(8-4-13)24-14-5-1-12(2-6-14)9-17(21)22/h1-8H,9-11H2,(H,21,22)
InChIKeyGORDMXWENJFHHQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.30
Rot. Bonds6

About 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid

2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid (PubChem CID 154356336) has the molecular formula C18H15NO5S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid
PubChem CID154356336
Molecular FormulaC18H15NO5S
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(CN3C(=O)CSC3=O)cc2)cc1
InChIInChI=1S/C18H15NO5S/c20-16-11-25-18(23)19(16)10-13-3-7-15(8-4-13)24-14-5-1-12(2-6-14)9-17(21)22/h1-8H,9-11H2,(H,21,22)
InChIKeyGORDMXWENJFHHQ-UHFFFAOYSA-N
XLogP3.30
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 23125222
3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 22370230
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide
CID 23125162
3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1228097
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea
CID 56566681
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methylamino]phenyl]acetic acid
CID 82097002
1-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1-methylurea
CID 56566385
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
1-[[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122078680

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid (CID 154356336) is 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2ccc(CN3C(=O)CSC3=O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid?
The InChIKey is GORDMXWENJFHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/c20-16-11-25-18(23)19(16)10-13-3-7-15(8-4-13)24-14-5-1-12(2-6-14)9-17(21)22/h1-8H,9-11H2,(H,21,22).
What are the key properties of 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid?
2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid has a molecular weight of 357.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid is sourced from PubChem (CID 154356336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).