(5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione

C19H12N4O3S3 — CID 72793647

IUPAC(5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(-c2nc3sc(-c4cccs4)nn3c2/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C19H12N4O3S3/c1-26-11-6-4-10(5-7-11)15-12(9-14-16(24)21-19(25)28-14)23-18(20-15)29-17(22-23)13-3-2-8-27-13/h2-9H,1H3,(H,21,24,25)/b14-9-
InChIKeyLQLHZUPPBDYDRL-ZROIWOOFSA-N
MW440.53 g/mol
LogP4.52
Rot. Bonds4

About (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 72793647) has the molecular formula C19H12N4O3S3 and a molecular weight of 440.53 g/mol. Its IUPAC name is (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID72793647
Molecular FormulaC19H12N4O3S3
Molecular Weight440.53 g/mol
Exact Mass440.01
IUPAC Name(5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(-c2nc3sc(-c4cccs4)nn3c2/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C19H12N4O3S3/c1-26-11-6-4-10(5-7-11)15-12(9-14-16(24)21-19(25)28-14)23-18(20-15)29-17(22-23)13-3-2-8-27-13/h2-9H,1H3,(H,21,24,25)/b14-9-
InChIKeyLQLHZUPPBDYDRL-ZROIWOOFSA-N
XLogP4.52
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[6-(4-methylphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 72793646
(5Z)-5-[[6-(4-nitrophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 57403573
(5Z)-5-[[2-(2-methylpropyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6224546
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
(5Z)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782375
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 840009
6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4140170
2-(4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 696170
6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 15954504
(2Z)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 136914459
(5Z)-5-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethylidene]-1,3-thiazolidine-2,4-dione
CID 66488166
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 72793647) is (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(-c2nc3sc(-c4cccs4)nn3c2/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LQLHZUPPBDYDRL-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H12N4O3S3/c1-26-11-6-4-10(5-7-11)15-12(9-14-16(24)21-19(25)28-14)23-18(20-15)29-17(22-23)13-3-2-8-27-13/h2-9H,1H3,(H,21,24,25)/b14-9-.
What are the key properties of (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 440.53 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[6-(4-methoxyphenyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 72793647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).