8-fluoro-4-methylsulfanylquinazoline

C9H7FN2S — CID 130639671

IUPAC8-fluoro-4-methylsulfanylquinazoline
SMILESCSc1ncnc2c(F)cccc12
InChIInChI=1S/C9H7FN2S/c1-13-9-6-3-2-4-7(10)8(6)11-5-12-9/h2-5H,1H3
InChIKeyFBZKYNNTWRGRHO-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.49
Rot. Bonds1

About 8-fluoro-4-methylsulfanylquinazoline

8-fluoro-4-methylsulfanylquinazoline (PubChem CID 130639671) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-fluoro-4-methylsulfanylquinazoline.

Molecular Properties

Compound Name8-fluoro-4-methylsulfanylquinazoline
PubChem CID130639671
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name8-fluoro-4-methylsulfanylquinazoline
SMILESCSc1ncnc2c(F)cccc12
InChIInChI=1S/C9H7FN2S/c1-13-9-6-3-2-4-7(10)8(6)11-5-12-9/h2-5H,1H3
InChIKeyFBZKYNNTWRGRHO-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(8-fluoroquinazolin-4-yl)sulfanylacetate
CID 119049553
N,N-diethyl-8-fluoroquinazolin-4-amine
CID 110433527
8-fluoro-N-(2-fluorophenyl)quinazolin-4-amine
CID 110434659
8-fluoro-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 89487428
8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 110434658
N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434734
8-fluoro-4-(3,3,3-trifluoropropoxy)quinazoline
CID 67619682
5-methyl-4,6-bis(methylsulfanyl)pyrimidine
CID 23403399
8-fluoro-4-[2-(4-propylphenyl)ethoxy]quinazoline
CID 154480659
N-(2,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434738
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
3-[(8-fluoroquinazolin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064764

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methylsulfanylquinazoline?
The IUPAC name of 8-fluoro-4-methylsulfanylquinazoline (CID 130639671) is 8-fluoro-4-methylsulfanylquinazoline.
What is the SMILES notation for 8-fluoro-4-methylsulfanylquinazoline?
The canonical SMILES for 8-fluoro-4-methylsulfanylquinazoline is CSc1ncnc2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-methylsulfanylquinazoline?
The InChIKey is FBZKYNNTWRGRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c1-13-9-6-3-2-4-7(10)8(6)11-5-12-9/h2-5H,1H3.
What are the key properties of 8-fluoro-4-methylsulfanylquinazoline?
8-fluoro-4-methylsulfanylquinazoline has a molecular weight of 194.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methylsulfanylquinazoline is sourced from PubChem (CID 130639671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).