5-bromo-2-quinazolin-4-ylsulfanylaniline

C14H10BrN3S — CID 60893837

IUPAC5-bromo-2-quinazolin-4-ylsulfanylaniline
SMILESNc1cc(Br)ccc1Sc1ncnc2ccccc12
InChIInChI=1S/C14H10BrN3S/c15-9-5-6-13(11(16)7-9)19-14-10-3-1-2-4-12(10)17-8-18-14/h1-8H,16H2
InChIKeyFSIXPPVPKQLZRG-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.13
Rot. Bonds2

About 5-bromo-2-quinazolin-4-ylsulfanylaniline

5-bromo-2-quinazolin-4-ylsulfanylaniline (PubChem CID 60893837) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is 5-bromo-2-quinazolin-4-ylsulfanylaniline.

Molecular Properties

Compound Name5-bromo-2-quinazolin-4-ylsulfanylaniline
PubChem CID60893837
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC Name5-bromo-2-quinazolin-4-ylsulfanylaniline
SMILESNc1cc(Br)ccc1Sc1ncnc2ccccc12
InChIInChI=1S/C14H10BrN3S/c15-9-5-6-13(11(16)7-9)19-14-10-3-1-2-4-12(10)17-8-18-14/h1-8H,16H2
InChIKeyFSIXPPVPKQLZRG-UHFFFAOYSA-N
XLogP4.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-quinazolin-4-ylsulfanylaniline
CID 60894209
1-(5-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanol
CID 82957654
2-(4-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63818147
5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline
CID 103591367
(1S)-1-(3-bromo-4-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63370242
2-quinazolin-4-ylsulfanylphenol
CID 62026320
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689
4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
CID 114047896
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
6-bromo-4-pyridin-2-ylsulfanylquinazoline
CID 21002564
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-quinazolin-4-ylsulfanylaniline?
The IUPAC name of 5-bromo-2-quinazolin-4-ylsulfanylaniline (CID 60893837) is 5-bromo-2-quinazolin-4-ylsulfanylaniline.
What is the SMILES notation for 5-bromo-2-quinazolin-4-ylsulfanylaniline?
The canonical SMILES for 5-bromo-2-quinazolin-4-ylsulfanylaniline is Nc1cc(Br)ccc1Sc1ncnc2ccccc12.
What is the InChIKey of 5-bromo-2-quinazolin-4-ylsulfanylaniline?
The InChIKey is FSIXPPVPKQLZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-9-5-6-13(11(16)7-9)19-14-10-3-1-2-4-12(10)17-8-18-14/h1-8H,16H2.
What are the key properties of 5-bromo-2-quinazolin-4-ylsulfanylaniline?
5-bromo-2-quinazolin-4-ylsulfanylaniline has a molecular weight of 332.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-quinazolin-4-ylsulfanylaniline is sourced from PubChem (CID 60893837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).