(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione

C19H15N3O2S — CID 102228148

IUPAC(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione
SMILESCN(C)c1ccc(/C=c2\sc3nc(=O)c4ccccc4n3c2=O)cc1
InChIInChI=1S/C19H15N3O2S/c1-21(2)13-9-7-12(8-10-13)11-16-18(24)22-15-6-4-3-5-14(15)17(23)20-19(22)25-16/h3-11H,1-2H3/b16-11-
InChIKeyGWQLHHYHHZIRNY-WJDWOHSUSA-N
MW349.42 g/mol
LogP1.88
Rot. Bonds2

About (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione

(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione (PubChem CID 102228148) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione.

Molecular Properties

Compound Name(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione
PubChem CID102228148
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione
SMILESCN(C)c1ccc(/C=c2\sc3nc(=O)c4ccccc4n3c2=O)cc1
InChIInChI=1S/C19H15N3O2S/c1-21(2)13-9-7-12(8-10-13)11-16-18(24)22-15-6-4-3-5-14(15)17(23)20-19(22)25-16/h3-11H,1-2H3/b16-11-
InChIKeyGWQLHHYHHZIRNY-WJDWOHSUSA-N
XLogP1.88
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione?
The IUPAC name of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione (CID 102228148) is (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione.
What is the SMILES notation for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione?
The canonical SMILES for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione is CN(C)c1ccc(/C=c2\sc3nc(=O)c4ccccc4n3c2=O)cc1.
What is the InChIKey of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione?
The InChIKey is GWQLHHYHHZIRNY-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-21(2)13-9-7-12(8-10-13)11-16-18(24)22-15-6-4-3-5-14(15)17(23)20-19(22)25-16/h3-11H,1-2H3/b16-11-.
What are the key properties of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione?
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione has a molecular weight of 349.42 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione is sourced from PubChem (CID 102228148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).