(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

C12H7NO2S2 — CID 156538731

IUPAC(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2csc3ccccc23)S1
InChIInChI=1S/C12H7NO2S2/c14-11-10(17-12(15)13-11)5-7-6-16-9-4-2-1-3-8(7)9/h1-6H,(H,13,14,15)/b10-5-
InChIKeyZVRDAOGQPIPDDD-YHYXMXQVSA-N
MW261.33 g/mol
LogP3.23
Rot. Bonds1

About (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 156538731) has the molecular formula C12H7NO2S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID156538731
Molecular FormulaC12H7NO2S2
Molecular Weight261.33 g/mol
Exact Mass260.99
IUPAC Name(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2csc3ccccc23)S1
InChIInChI=1S/C12H7NO2S2/c14-11-10(17-12(15)13-11)5-7-6-16-9-4-2-1-3-8(7)9/h1-6H,(H,13,14,15)/b10-5-
InChIKeyZVRDAOGQPIPDDD-YHYXMXQVSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
(5Z)-5-[(2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 89110146
5-(1-benzothiophen-3-ylmethylidene)-3-ethylimidazolidine-2,4-dione
CID 156538318
2-[(5Z)-5-(1-benzothiophen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 178169343
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
5-[(2-chloro-4-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 141153634
(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5293778
5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75571053
3-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]propanoic acid
CID 59122793
5-(1-benzothiophen-3-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91251863
(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59994086

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 156538731) is (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2csc3ccccc23)S1.
What is the InChIKey of (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is ZVRDAOGQPIPDDD-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H7NO2S2/c14-11-10(17-12(15)13-11)5-7-6-16-9-4-2-1-3-8(7)9/h1-6H,(H,13,14,15)/b10-5-.
What are the key properties of (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 261.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 156538731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).