(5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione

C11H10N2O3S — CID 157447882

IUPAC(5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCC(=O)CN1C(=O)S/C(=C\C2=CCC=N2)C1=O
InChIInChI=1S/C11H10N2O3S/c1-7(14)6-13-10(15)9(17-11(13)16)5-8-3-2-4-12-8/h3-5H,2,6H2,1H3/b9-5-
InChIKeyHVGOWMVMUXUJLO-UITAMQMPSA-N
MW250.28 g/mol
LogP1.51
Rot. Bonds3

About (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 157447882) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID157447882
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCC(=O)CN1C(=O)S/C(=C\C2=CCC=N2)C1=O
InChIInChI=1S/C11H10N2O3S/c1-7(14)6-13-10(15)9(17-11(13)16)5-8-3-2-4-12-8/h3-5H,2,6H2,1H3/b9-5-
InChIKeyHVGOWMVMUXUJLO-UITAMQMPSA-N
XLogP1.51
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-[2,4-dioxo-3-(2-oxopropyl)-1,3-thiazolidin-5-ylidene]methyl]phenyl] formate
CID 160689702
2-[(5Z)-5-[(2-amino-1,3-thiazol-4-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 15053673
2-[(5Z)-5-[(6-methoxy-3-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 135357282
ethyl 2-[5-[(4-bromothiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 1209955
2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 2894896
2-[5-[(4-methylsulfanylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 142450734
2-[(5Z)-5-[[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 53329936
2-[(5E)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1213002
2-[5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 2906339
2-[(5Z)-5-[(3-methoxy-4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 158817313
(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 42263045
N'-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
CID 1364305

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 157447882) is (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione is CC(=O)CN1C(=O)S/C(=C\C2=CCC=N2)C1=O.
What is the InChIKey of (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is HVGOWMVMUXUJLO-UITAMQMPSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-7(14)6-13-10(15)9(17-11(13)16)5-8-3-2-4-12-8/h3-5H,2,6H2,1H3/b9-5-.
What are the key properties of (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 250.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-oxopropyl)-5-(3H-pyrrol-5-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 157447882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).