N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide

C15H12N4OS — CID 60894211

IUPACN'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Sc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H12N4OS/c16-14(19-20)10-5-7-11(8-6-10)21-15-12-3-1-2-4-13(12)17-9-18-15/h1-9,20H,(H2,16,19)
InChIKeyTZQRLKUFGWOZBJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.88
Rot. Bonds3

About N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide

N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide (PubChem CID 60894211) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide
PubChem CID60894211
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Sc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H12N4OS/c16-14(19-20)10-5-7-11(8-6-10)21-15-12-3-1-2-4-13(12)17-9-18-15/h1-9,20H,(H2,16,19)
InChIKeyTZQRLKUFGWOZBJ-UHFFFAOYSA-N
XLogP2.88
TPSA84.39 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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951535
(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
CID 115490289
2-quinazolin-4-ylsulfanylphenol
CID 62026320
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924
(3-quinazolin-4-ylsulfanylphenyl)methanamine
CID 102818709
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
3,3,3-trifluoro-N'-hydroxy-2-(quinazolin-4-ylsulfanylmethyl)propanimidamide
CID 103371328
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
CID 107060940
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689
4-(4-chlorophenyl)sulfanylquinazoline-7-carboxylic acid
CID 63264403
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide (CID 60894211) is N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide is N/C(=N\O)c1ccc(Sc2ncnc3ccccc23)cc1.
What is the InChIKey of N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide?
The InChIKey is TZQRLKUFGWOZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14(19-20)10-5-7-11(8-6-10)21-15-12-3-1-2-4-13(12)17-9-18-15/h1-9,20H,(H2,16,19).
What are the key properties of N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide?
N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide has a molecular weight of 296.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 60894211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).