2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one

C15H10N4OS — CID 168552705

IUPAC2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one
SMILESNc1nc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2s1
InChIInChI=1S/C15H10N4OS/c16-15-18-11-6-5-8(7-12(11)21-15)13-17-10-4-2-1-3-9(10)14(20)19-13/h1-7H,(H2,16,18)(H,17,19,20)
InChIKeyOQJVPZHDOAOLEA-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.78
Rot. Bonds1

About 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one

2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one (PubChem CID 168552705) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one
PubChem CID168552705
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one
SMILESNc1nc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2s1
InChIInChI=1S/C15H10N4OS/c16-15-18-11-6-5-8(7-12(11)21-15)13-17-10-4-2-1-3-9(10)14(20)19-13/h1-7H,(H2,16,18)(H,17,19,20)
InChIKeyOQJVPZHDOAOLEA-UHFFFAOYSA-N
XLogP2.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 17336802
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 82005407
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
CID 168552834
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one (CID 168552705) is 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one is Nc1nc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2s1.
What is the InChIKey of 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one?
The InChIKey is OQJVPZHDOAOLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-15-18-11-6-5-8(7-12(11)21-15)13-17-10-4-2-1-3-9(10)14(20)19-13/h1-7H,(H2,16,18)(H,17,19,20).
What are the key properties of 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one?
2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one has a molecular weight of 294.34 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 168552705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).