2-benzyl-4-methylsulfanylquinazoline

C16H14N2S — CID 1449030

IUPAC2-benzyl-4-methylsulfanylquinazoline
SMILESCSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H14N2S/c1-19-16-13-9-5-6-10-14(13)17-15(18-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyRIVUOWCIINQJLR-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.94
Rot. Bonds3

About 2-benzyl-4-methylsulfanylquinazoline

2-benzyl-4-methylsulfanylquinazoline (PubChem CID 1449030) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-benzyl-4-methylsulfanylquinazoline.

Molecular Properties

Compound Name2-benzyl-4-methylsulfanylquinazoline
PubChem CID1449030
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-benzyl-4-methylsulfanylquinazoline
SMILESCSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H14N2S/c1-19-16-13-9-5-6-10-14(13)17-15(18-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyRIVUOWCIINQJLR-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Tert-Butylphenylsulfanyl)-2,4-Quinazolinediamine
CID 3537
5-Phenylsulfanyl-2,4-Quinazolinediamine
CID 446244
5-(4-Methylphenyl)sulfanylquinazoline-2,4-diamine
CID 446245
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
WR 159412
CID 100475
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
(4-Methylthio-phenyl)-(2-methyl-quinazolin-4-yl)-methylamine
CID 11580217
6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
4-Phenylquinazolin-2-amine
CID 267618
2-Chloro-4-phenylquinazoline
CID 3123582
2-(6-Fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
CID 3167738
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methylsulfanylquinazoline?
The IUPAC name of 2-benzyl-4-methylsulfanylquinazoline (CID 1449030) is 2-benzyl-4-methylsulfanylquinazoline.
What is the SMILES notation for 2-benzyl-4-methylsulfanylquinazoline?
The canonical SMILES for 2-benzyl-4-methylsulfanylquinazoline is CSc1nc(Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-benzyl-4-methylsulfanylquinazoline?
The InChIKey is RIVUOWCIINQJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-19-16-13-9-5-6-10-14(13)17-15(18-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 2-benzyl-4-methylsulfanylquinazoline?
2-benzyl-4-methylsulfanylquinazoline has a molecular weight of 266.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methylsulfanylquinazoline is sourced from PubChem (CID 1449030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).