[4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate

C14H11NO5S — CID 160689702

IUPAC[4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate
SMILESCC(=O)CN1C(=O)S/C(=C\c2ccc(OC=O)cc2)C1=O
InChIInChI=1S/C14H11NO5S/c1-9(17)7-15-13(18)12(21-14(15)19)6-10-2-4-11(5-3-10)20-8-16/h2-6,8H,7H2,1H3/b12-6-
InChIKeyHBBJGNCNKNLQTB-SDQBBNPISA-N
MW305.31 g/mol
LogP1.85
Rot. Bonds5

About [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate

[4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate (PubChem CID 160689702) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate.

Molecular Properties

Compound Name[4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate
PubChem CID160689702
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name[4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate
SMILESCC(=O)CN1C(=O)S/C(=C\c2ccc(OC=O)cc2)C1=O
InChIInChI=1S/C14H11NO5S/c1-9(17)7-15-13(18)12(21-14(15)19)6-10-2-4-11(5-3-10)20-8-16/h2-6,8H,7H2,1H3/b12-6-
InChIKeyHBBJGNCNKNLQTB-SDQBBNPISA-N
XLogP1.85
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate 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-[(5E)-5-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 21380255
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 5036394
2-[(5Z)-5-[(4-octoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 6070917
2-[2,4-dioxo-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 75062328
2-[2,4-dioxo-5-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-3-yl]acetate
CID 154038060
2-[(5Z)-5-[(6-methoxynaphthalen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 10831218
N-(2,6-dimethylphenyl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126168361
2-[(5Z)-5-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 53329936
2-[5-[(4-methylsulfanylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 142450734
3-[[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]propanoic acid
CID 16632301
N-(2-methylphenyl)-2-[5-[[4-(2-methylpropoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 3954541
[4-[(E)-[2,4-dioxo-3-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
CID 126368053

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate?
The IUPAC name of [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate (CID 160689702) is [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate.
What is the SMILES notation for [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate?
The canonical SMILES for [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate is CC(=O)CN1C(=O)S/C(=C\c2ccc(OC=O)cc2)C1=O.
What is the InChIKey of [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate?
The InChIKey is HBBJGNCNKNLQTB-SDQBBNPISA-N. The full InChI is InChI=1S/C14H11NO5S/c1-9(17)7-15-13(18)12(21-14(15)19)6-10-2-4-11(5-3-10)20-8-16/h2-6,8H,7H2,1H3/b12-6-.
What are the key properties of [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate?
[4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate has a molecular weight of 305.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate is sourced from PubChem (CID 160689702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).