(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

C19H12N4O2S3 — CID 72793646

IUPAC(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
SMILESCc1ccc(-c2nc3sc(-c4cccs4)nn3c2/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C19H12N4O2S3/c1-10-4-6-11(7-5-10)15-12(9-14-16(24)21-19(25)27-14)23-18(20-15)28-17(22-23)13-3-2-8-26-13/h2-9H,1H3,(H,21,24,25)/b14-9-
InChIKeyLWHUYCATCAXPED-ZROIWOOFSA-N
MW424.53 g/mol
LogP4.82
Rot. Bonds3

About (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

(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 (PubChem CID 72793646) has the molecular formula C19H12N4O2S3 and a molecular weight of 424.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID72793646
Molecular FormulaC19H12N4O2S3
Molecular Weight424.53 g/mol
Exact Mass424.01
IUPAC Name(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
SMILESCc1ccc(-c2nc3sc(-c4cccs4)nn3c2/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C19H12N4O2S3/c1-10-4-6-11(7-5-10)15-12(9-14-16(24)21-19(25)27-14)23-18(20-15)28-17(22-23)13-3-2-8-26-13/h2-9H,1H3,(H,21,24,25)/b14-9-
InChIKeyLWHUYCATCAXPED-ZROIWOOFSA-N
XLogP4.82
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(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
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3453657
6-(4-bromophenyl)-5-(piperidin-1-ylmethyl)-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 15954504
(5E)-5-[[4-[3-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)propanoyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 177384837
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
2-(6-methyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)acetic acid
CID 98022499
(3E)-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 155816046
[5-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]-2-methylphenyl]-methyl-oxoazanium
CID 58107824
4-thiophen-2-yl-5-thia-2,3,7,10,11-pentazatricyclo[6.4.0.02,6]dodeca-1(8),3,6,11-tetraen-9-one
CID 11644781

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(-c2nc3sc(-c4cccs4)nn3c2/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (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?
The InChIKey is LWHUYCATCAXPED-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H12N4O2S3/c1-10-4-6-11(7-5-10)15-12(9-14-16(24)21-19(25)27-14)23-18(20-15)28-17(22-23)13-3-2-8-26-13/h2-9H,1H3,(H,21,24,25)/b14-9-.
What are the key properties of (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?
(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 has a molecular weight of 424.53 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 72793646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).