5-amino-2-quinazolin-4-ylsulfanylbenzamide

C15H12N4OS — CID 61306689

IUPAC5-amino-2-quinazolin-4-ylsulfanylbenzamide
SMILESNC(=O)c1cc(N)ccc1Sc1ncnc2ccccc12
InChIInChI=1S/C15H12N4OS/c16-9-5-6-13(11(7-9)14(17)20)21-15-10-3-1-2-4-12(10)18-8-19-15/h1-8H,16H2,(H2,17,20)
InChIKeyVXPHZXODBVITMF-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.46
Rot. Bonds3

About 5-amino-2-quinazolin-4-ylsulfanylbenzamide

5-amino-2-quinazolin-4-ylsulfanylbenzamide (PubChem CID 61306689) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-amino-2-quinazolin-4-ylsulfanylbenzamide.

Molecular Properties

Compound Name5-amino-2-quinazolin-4-ylsulfanylbenzamide
PubChem CID61306689
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name5-amino-2-quinazolin-4-ylsulfanylbenzamide
SMILESNC(=O)c1cc(N)ccc1Sc1ncnc2ccccc12
InChIInChI=1S/C15H12N4OS/c16-9-5-6-13(11(7-9)14(17)20)21-15-10-3-1-2-4-12(10)18-8-19-15/h1-8H,16H2,(H2,17,20)
InChIKeyVXPHZXODBVITMF-UHFFFAOYSA-N
XLogP2.46
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-quinazolin-4-ylsulfanylbenzamide?
The IUPAC name of 5-amino-2-quinazolin-4-ylsulfanylbenzamide (CID 61306689) is 5-amino-2-quinazolin-4-ylsulfanylbenzamide.
What is the SMILES notation for 5-amino-2-quinazolin-4-ylsulfanylbenzamide?
The canonical SMILES for 5-amino-2-quinazolin-4-ylsulfanylbenzamide is NC(=O)c1cc(N)ccc1Sc1ncnc2ccccc12.
What is the InChIKey of 5-amino-2-quinazolin-4-ylsulfanylbenzamide?
The InChIKey is VXPHZXODBVITMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-9-5-6-13(11(7-9)14(17)20)21-15-10-3-1-2-4-12(10)18-8-19-15/h1-8H,16H2,(H2,17,20).
What are the key properties of 5-amino-2-quinazolin-4-ylsulfanylbenzamide?
5-amino-2-quinazolin-4-ylsulfanylbenzamide has a molecular weight of 296.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-quinazolin-4-ylsulfanylbenzamide is sourced from PubChem (CID 61306689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).