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

C20H18N6O2S2 — CID 90467243

IUPAC(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(c2ncc(-c3ncnc4ccc(/C=C5\SC(=O)NC5=O)cc34)s2)CC1
InChIInChI=1S/C20H18N6O2S2/c1-25-4-6-26(7-5-25)19-21-10-16(29-19)17-13-8-12(2-3-14(13)22-11-23-17)9-15-18(27)24-20(28)30-15/h2-3,8-11H,4-7H2,1H3,(H,24,27,28)/b15-9-
InChIKeyNMINGBRUSNHAPC-DHDCSXOGSA-N
MW438.54 g/mol
LogP2.83
Rot. Bonds3

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

(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 90467243) has the molecular formula C20H18N6O2S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-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-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID90467243
Molecular FormulaC20H18N6O2S2
Molecular Weight438.54 g/mol
Exact Mass438.09
IUPAC Name(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(c2ncc(-c3ncnc4ccc(/C=C5\SC(=O)NC5=O)cc34)s2)CC1
InChIInChI=1S/C20H18N6O2S2/c1-25-4-6-26(7-5-25)19-21-10-16(29-19)17-13-8-12(2-3-14(13)22-11-23-17)9-15-18(27)24-20(28)30-15/h2-3,8-11H,4-7H2,1H3,(H,24,27,28)/b15-9-
InChIKeyNMINGBRUSNHAPC-DHDCSXOGSA-N
XLogP2.83
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 52.83
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-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(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
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
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
tert-butyl (2S)-1-[6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinazolin-4-yl]pyrrolidine-2-carboxylate
CID 86600936
5-[[4-chloro-3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75304016
4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
CID 57469649
(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211751
(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211849
(5Z)-5-[[3-[4-(4-ethylpiperazin-1-yl)phenyl]benzimidazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 89493865

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-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-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 90467243) is (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-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-thiazol-5-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-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is CN1CCN(c2ncc(-c3ncnc4ccc(/C=C5\SC(=O)NC5=O)cc34)s2)CC1.
What is the InChIKey of (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NMINGBRUSNHAPC-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H18N6O2S2/c1-25-4-6-26(7-5-25)19-21-10-16(29-19)17-13-8-12(2-3-14(13)22-11-23-17)9-15-18(27)24-20(28)30-15/h2-3,8-11H,4-7H2,1H3,(H,24,27,28)/b15-9-.
What are the key properties of (5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 438.54 g/mol, XLogP of 2.83, 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-thiazol-5-yl]quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 90467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).