sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H16N3NaO4S — CID 158285603

IUPACsodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)nc2ccccc2c1=O.[H-].[Na+]
InChIInChI=1S/C20H15N3O4S.Na.H/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16;;/h2-10H,11H2,1H3,(H,22,24,26);;/q;+1;-1/b16-10+;;
InChIKeyLXRWNVHVPQFTAP-CNSDMJOKSA-N
MW417.42 g/mol
LogP-0.05
Rot. Bonds4

About sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 158285603) has the molecular formula C20H16N3NaO4S and a molecular weight of 417.42 g/mol. Its IUPAC name is sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Namesodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID158285603
Molecular FormulaC20H16N3NaO4S
Molecular Weight417.42 g/mol
Exact Mass417.08
IUPAC Namesodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)nc2ccccc2c1=O.[H-].[Na+]
InChIInChI=1S/C20H15N3O4S.Na.H/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16;;/h2-10H,11H2,1H3,(H,22,24,26);;/q;+1;-1/b16-10+;;
InChIKeyLXRWNVHVPQFTAP-CNSDMJOKSA-N
XLogP-0.05
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]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

5-[[4-[2-(3-methyl-4-oxoquinazolin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54052043
(5Z)-5-[[1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953788
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3791203
(5Z)-5-[[4-(thiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46233519
(5Z)-5-[[4-(3-phenylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836336
5-[[4-[[(2S)-1-quinolin-2-ylaziridin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 173307406
5-[[4-[2-[1-methyl-2-(4-methylphenyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73100648
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 91690869
(5Z)-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10502811

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 158285603) is sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)nc2ccccc2c1=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LXRWNVHVPQFTAP-CNSDMJOKSA-N. The full InChI is InChI=1S/C20H15N3O4S.Na.H/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16;;/h2-10H,11H2,1H3,(H,22,24,26);;/q;+1;-1/b16-10+;;.
What are the key properties of sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 417.42 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(5E)-5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158285603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).