5-methyl-2-quinazolin-4-ylsulfanylaniline

C15H13N3S — CID 60894209

IUPAC5-methyl-2-quinazolin-4-ylsulfanylaniline
SMILESCc1ccc(Sc2ncnc3ccccc23)c(N)c1
InChIInChI=1S/C15H13N3S/c1-10-6-7-14(12(16)8-10)19-15-11-4-2-3-5-13(11)17-9-18-15/h2-9H,16H2,1H3
InChIKeyQATRGKSZTCMNIX-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.67
Rot. Bonds2

About 5-methyl-2-quinazolin-4-ylsulfanylaniline

5-methyl-2-quinazolin-4-ylsulfanylaniline (PubChem CID 60894209) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-methyl-2-quinazolin-4-ylsulfanylaniline.

Molecular Properties

Compound Name5-methyl-2-quinazolin-4-ylsulfanylaniline
PubChem CID60894209
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-methyl-2-quinazolin-4-ylsulfanylaniline
SMILESCc1ccc(Sc2ncnc3ccccc23)c(N)c1
InChIInChI=1S/C15H13N3S/c1-10-6-7-14(12(16)8-10)19-15-11-4-2-3-5-13(11)17-9-18-15/h2-9H,16H2,1H3
InChIKeyQATRGKSZTCMNIX-UHFFFAOYSA-N
XLogP3.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.67
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-bromo-2-quinazolin-4-ylsulfanylaniline
CID 60893837
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
5-methyl-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79234908
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 63835579
1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 63835578
1-(5-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanol
CID 82957654
1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanone
CID 60895654
4-[(4-methylphenyl)methylsulfanyl]quinazoline
CID 2377234

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-quinazolin-4-ylsulfanylaniline?
The IUPAC name of 5-methyl-2-quinazolin-4-ylsulfanylaniline (CID 60894209) is 5-methyl-2-quinazolin-4-ylsulfanylaniline.
What is the SMILES notation for 5-methyl-2-quinazolin-4-ylsulfanylaniline?
The canonical SMILES for 5-methyl-2-quinazolin-4-ylsulfanylaniline is Cc1ccc(Sc2ncnc3ccccc23)c(N)c1.
What is the InChIKey of 5-methyl-2-quinazolin-4-ylsulfanylaniline?
The InChIKey is QATRGKSZTCMNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-6-7-14(12(16)8-10)19-15-11-4-2-3-5-13(11)17-9-18-15/h2-9H,16H2,1H3.
What are the key properties of 5-methyl-2-quinazolin-4-ylsulfanylaniline?
5-methyl-2-quinazolin-4-ylsulfanylaniline has a molecular weight of 267.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-quinazolin-4-ylsulfanylaniline is sourced from PubChem (CID 60894209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).