5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one

C18H11N5OS — CID 11152144

IUPAC5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2nc(Nc3nccs3)c3ccccc3n12
InChIInChI=1S/C18H11N5OS/c24-16-11-5-1-3-7-13(11)20-17-21-15(22-18-19-9-10-25-18)12-6-2-4-8-14(12)23(16)17/h1-10H,(H,19,20,21,22)
InChIKeyKXBQEVOJCIBIJT-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.60
Rot. Bonds2

About 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one

5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one (PubChem CID 11152144) has the molecular formula C18H11N5OS and a molecular weight of 345.39 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one
PubChem CID11152144
Molecular FormulaC18H11N5OS
Molecular Weight345.39 g/mol
Exact Mass345.07
IUPAC Name5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one
SMILESO=c1c2ccccc2nc2nc(Nc3nccs3)c3ccccc3n12
InChIInChI=1S/C18H11N5OS/c24-16-11-5-1-3-7-13(11)20-17-21-15(22-18-19-9-10-25-18)12-6-2-4-8-14(12)23(16)17/h1-10H,(H,19,20,21,22)
InChIKeyKXBQEVOJCIBIJT-UHFFFAOYSA-N
XLogP3.60
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-anilinoquinazolino[2,1-b]quinazolin-12-one
CID 11393590
5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one
CID 134096041
5-[[5-(3-methoxypropyl)-1H-pyrazol-3-yl]amino]quinazolino[2,1-b]quinazolin-12-one
CID 11223312
2-[4-oxo-3-[2-[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 46370345
ethane;8-(methylamino)-1,3,9,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2(7),3,5,8,10,12,14,16-octaen-18-one
CID 91354060
5-morpholin-4-ylquinazolino[2,1-b]quinazolin-12-one
CID 134090532
2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 162655134
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
2-[4-oxo-3-(3,4,5-trifluorophenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 53308404
3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 102030654
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 167643351

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one?
The IUPAC name of 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one (CID 11152144) is 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one?
The canonical SMILES for 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one is O=c1c2ccccc2nc2nc(Nc3nccs3)c3ccccc3n12.
What is the InChIKey of 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one?
The InChIKey is KXBQEVOJCIBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5OS/c24-16-11-5-1-3-7-13(11)20-17-21-15(22-18-19-9-10-25-18)12-6-2-4-8-14(12)23(16)17/h1-10H,(H,19,20,21,22).
What are the key properties of 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one?
5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one has a molecular weight of 345.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylamino)quinazolino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 11152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).