(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C16H10ClNO3S2 — CID 43018863

IUPAC(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNO3S2/c17-11-5-3-10(4-6-11)13(19)9-18-15(20)14(23-16(18)21)8-12-2-1-7-22-12/h1-8H,9H2/b14-8-
InChIKeyYWWGEIFNYGIOGM-ZSOIEALJSA-N
MW363.85 g/mol
LogP4.32
Rot. Bonds4

About (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 43018863) has the molecular formula C16H10ClNO3S2 and a molecular weight of 363.85 g/mol. Its IUPAC name is (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID43018863
Molecular FormulaC16H10ClNO3S2
Molecular Weight363.85 g/mol
Exact Mass362.98
IUPAC Name(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNO3S2/c17-11-5-3-10(4-6-11)13(19)9-18-15(20)14(23-16(18)21)8-12-2-1-7-22-12/h1-8H,9H2/b14-8-
InChIKeyYWWGEIFNYGIOGM-ZSOIEALJSA-N
XLogP4.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.32
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

(5E)-3-[(4-chlorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1338374
(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1333414
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 20841128
(5E)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(2,3-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126352001
methyl 4-[(Z)-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 1334641
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 11754368
(5E)-5-[(4-chlorophenyl)methylidene]-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126357939
5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 1327014
2-[3-[(Z)-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126134489
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 51143857
(5Z)-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 42263045
(5E)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126347087

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 43018863) is (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is YWWGEIFNYGIOGM-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10ClNO3S2/c17-11-5-3-10(4-6-11)13(19)9-18-15(20)14(23-16(18)21)8-12-2-1-7-22-12/h1-8H,9H2/b14-8-.
What are the key properties of (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 363.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43018863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).