5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine

C15H12FN3S — CID 155805691

IUPAC5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine
SMILESCSc1nc(Nc2ccccc2)c2c(F)cccc2n1
InChIInChI=1S/C15H12FN3S/c1-20-15-18-12-9-5-8-11(16)13(12)14(19-15)17-10-6-3-2-4-7-10/h2-9H,1H3,(H,17,18,19)
InChIKeyQYFDMTRFQDSSNC-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.23
Rot. Bonds3

About 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine

5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine (PubChem CID 155805691) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine
PubChem CID155805691
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine
SMILESCSc1nc(Nc2ccccc2)c2c(F)cccc2n1
InChIInChI=1S/C15H12FN3S/c1-20-15-18-12-9-5-8-11(16)13(12)14(19-15)17-10-6-3-2-4-7-10/h2-9H,1H3,(H,17,18,19)
InChIKeyQYFDMTRFQDSSNC-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
CID 86199310
5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
CID 14461172
2-[(4-anilinoquinazolin-2-yl)disulfanyl]-N-phenylquinazolin-4-amine
CID 12994963
2,6-difluoro-N-phenylaniline
CID 13387559
N-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
CID 5142315
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
6-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 11840819
4-anilino-2-methylsulfanylpyrimidine-5-carboxylic acid;hydrofluoride
CID 70926607
4-anilino-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 15630605
2-ethylsulfanyl-6-fluoro-5-methyl-N-phenylpyrimidin-4-amine
CID 14461174
5-bromo-2-methylsulfanyl-N-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 90218081
4-(4-hydroxyanilino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile
CID 7718744

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine?
The IUPAC name of 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine (CID 155805691) is 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine?
The canonical SMILES for 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine is CSc1nc(Nc2ccccc2)c2c(F)cccc2n1.
What is the InChIKey of 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine?
The InChIKey is QYFDMTRFQDSSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c1-20-15-18-12-9-5-8-11(16)13(12)14(19-15)17-10-6-3-2-4-7-10/h2-9H,1H3,(H,17,18,19).
What are the key properties of 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine?
5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylsulfanyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 155805691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).