(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

C24H20N6O2S2 — CID 90465903

IUPAC(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(c2nc3ccc(-c4ncnc5ccc(/C=C6\SC(=O)NC6=O)cc45)cc3s2)CC1
InChIInChI=1S/C24H20N6O2S2/c1-29-6-8-30(9-7-29)23-27-18-5-3-15(12-19(18)33-23)21-16-10-14(2-4-17(16)25-13-26-21)11-20-22(31)28-24(32)34-20/h2-5,10-13H,6-9H2,1H3,(H,28,31,32)/b20-11-
InChIKeyQVPJDEJIGQYRGD-JAIQZWGSSA-N
MW488.60 g/mol
LogP3.98
Rot. Bonds3

About (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 90465903) has the molecular formula C24H20N6O2S2 and a molecular weight of 488.60 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID90465903
Molecular FormulaC24H20N6O2S2
Molecular Weight488.60 g/mol
Exact Mass488.11
IUPAC Name(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(c2nc3ccc(-c4ncnc5ccc(/C=C6\SC(=O)NC6=O)cc45)cc3s2)CC1
InChIInChI=1S/C24H20N6O2S2/c1-29-6-8-30(9-7-29)23-27-18-5-3-15(12-19(18)33-23)21-16-10-14(2-4-17(16)25-13-26-21)11-20-22(31)28-24(32)34-20/h2-5,10-13H,6-9H2,1H3,(H,28,31,32)/b20-11-
InChIKeyQVPJDEJIGQYRGD-JAIQZWGSSA-N
XLogP3.98
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 53.98
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-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 90467243
5-[[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161181285
(5E)-5-[(4-thiophen-3-ylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 25212143
(5Z)-5-[(4-phenylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11616947
5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74430618
5-(quinazolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 141171084
(5Z)-5-[[4-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]pyrido[3,4-d]pyrimidin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 90466482
5-[[3-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-benzothiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 78107632
1-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]ethanone
CID 141421140
(5E)-5-[[4-(1-benzothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211645
(5Z)-5-[[4-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]quinazolin-6-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 86279037
tert-butyl (2S)-1-[6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinazolin-4-yl]pyrrolidine-2-carboxylate
CID 86600936

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 90465903) is (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is CN1CCN(c2nc3ccc(-c4ncnc5ccc(/C=C6\SC(=O)NC6=O)cc45)cc3s2)CC1.
What is the InChIKey of (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QVPJDEJIGQYRGD-JAIQZWGSSA-N. The full InChI is InChI=1S/C24H20N6O2S2/c1-29-6-8-30(9-7-29)23-27-18-5-3-15(12-19(18)33-23)21-16-10-14(2-4-17(16)25-13-26-21)11-20-22(31)28-24(32)34-20/h2-5,10-13H,6-9H2,1H3,(H,28,31,32)/b20-11-.
What are the key properties of (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 488.60 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 90465903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).