4-cyclohexylsulfanyl-6-fluoroquinazoline

C14H15FN2S — CID 129024661

IUPAC4-cyclohexylsulfanyl-6-fluoroquinazoline
SMILESFc1ccc2ncnc(SC3CCCCC3)c2c1
InChIInChI=1S/C14H15FN2S/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyHJBMVKJSOMRUCH-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.19
Rot. Bonds2

About 4-cyclohexylsulfanyl-6-fluoroquinazoline

4-cyclohexylsulfanyl-6-fluoroquinazoline (PubChem CID 129024661) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-6-fluoroquinazoline.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-6-fluoroquinazoline
PubChem CID129024661
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name4-cyclohexylsulfanyl-6-fluoroquinazoline
SMILESFc1ccc2ncnc(SC3CCCCC3)c2c1
InChIInChI=1S/C14H15FN2S/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyHJBMVKJSOMRUCH-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-6-fluoroquinazoline?
The IUPAC name of 4-cyclohexylsulfanyl-6-fluoroquinazoline (CID 129024661) is 4-cyclohexylsulfanyl-6-fluoroquinazoline.
What is the SMILES notation for 4-cyclohexylsulfanyl-6-fluoroquinazoline?
The canonical SMILES for 4-cyclohexylsulfanyl-6-fluoroquinazoline is Fc1ccc2ncnc(SC3CCCCC3)c2c1.
What is the InChIKey of 4-cyclohexylsulfanyl-6-fluoroquinazoline?
The InChIKey is HJBMVKJSOMRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 4-cyclohexylsulfanyl-6-fluoroquinazoline?
4-cyclohexylsulfanyl-6-fluoroquinazoline has a molecular weight of 262.35 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-6-fluoroquinazoline is sourced from PubChem (CID 129024661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).