5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione

C18H10N6O3S — CID 135017549

IUPAC5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione
SMILESO=c1nc2n(-c3nnc(-c4ccccc4)s3)c(=O)c3ccccc3n2c(=O)[nH]1
InChIInChI=1S/C18H10N6O3S/c25-14-11-8-4-5-9-12(11)23-16(19-15(26)20-17(23)27)24(14)18-22-21-13(28-18)10-6-2-1-3-7-10/h1-9H,(H,20,26,27)
InChIKeyGAKBJSNEDSZDBB-UHFFFAOYSA-N
MW390.38 g/mol
LogP1.21
Rot. Bonds2

About 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione

5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione (PubChem CID 135017549) has the molecular formula C18H10N6O3S and a molecular weight of 390.38 g/mol. Its IUPAC name is 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione.

Molecular Properties

Compound Name5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione
PubChem CID135017549
Molecular FormulaC18H10N6O3S
Molecular Weight390.38 g/mol
Exact Mass390.05
IUPAC Name5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione
SMILESO=c1nc2n(-c3nnc(-c4ccccc4)s3)c(=O)c3ccccc3n2c(=O)[nH]1
InChIInChI=1S/C18H10N6O3S/c25-14-11-8-4-5-9-12(11)23-16(19-15(26)20-17(23)27)24(14)18-22-21-13(28-18)10-6-2-1-3-7-10/h1-9H,(H,20,26,27)
InChIKeyGAKBJSNEDSZDBB-UHFFFAOYSA-N
XLogP1.21
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 135017548
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
CID 24797168
2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-phenyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one
CID 25111803
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
3-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 25112041
4-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42600700
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448271
3-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]quinazolin-4-one
CID 50905608
11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one
CID 163585676
2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
CID 24649182
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione?
The IUPAC name of 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione (CID 135017549) is 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione.
What is the SMILES notation for 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione?
The canonical SMILES for 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione is O=c1nc2n(-c3nnc(-c4ccccc4)s3)c(=O)c3ccccc3n2c(=O)[nH]1.
What is the InChIKey of 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione?
The InChIKey is GAKBJSNEDSZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N6O3S/c25-14-11-8-4-5-9-12(11)23-16(19-15(26)20-17(23)27)24(14)18-22-21-13(28-18)10-6-2-1-3-7-10/h1-9H,(H,20,26,27).
What are the key properties of 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione?
5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione has a molecular weight of 390.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione is sourced from PubChem (CID 135017549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).