4-cyclopentylsulfanylquinazoline

C13H14N2S — CID 7160394

IUPAC4-cyclopentylsulfanylquinazoline
SMILESc1ccc2c(SC3CCCC3)ncnc2c1
InChIInChI=1S/C13H14N2S/c1-2-6-10(5-1)16-13-11-7-3-4-8-12(11)14-9-15-13/h3-4,7-10H,1-2,5-6H2
InChIKeyDJYXIGLJSJJBGA-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.66
Rot. Bonds2

About 4-cyclopentylsulfanylquinazoline

4-cyclopentylsulfanylquinazoline (PubChem CID 7160394) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-cyclopentylsulfanylquinazoline.

Molecular Properties

Compound Name4-cyclopentylsulfanylquinazoline
PubChem CID7160394
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-cyclopentylsulfanylquinazoline
SMILESc1ccc2c(SC3CCCC3)ncnc2c1
InChIInChI=1S/C13H14N2S/c1-2-6-10(5-1)16-13-11-7-3-4-8-12(11)14-9-15-13/h3-4,7-10H,1-2,5-6H2
InChIKeyDJYXIGLJSJJBGA-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanylquinazoline?
The IUPAC name of 4-cyclopentylsulfanylquinazoline (CID 7160394) is 4-cyclopentylsulfanylquinazoline.
What is the SMILES notation for 4-cyclopentylsulfanylquinazoline?
The canonical SMILES for 4-cyclopentylsulfanylquinazoline is c1ccc2c(SC3CCCC3)ncnc2c1.
What is the InChIKey of 4-cyclopentylsulfanylquinazoline?
The InChIKey is DJYXIGLJSJJBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-6-10(5-1)16-13-11-7-3-4-8-12(11)14-9-15-13/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 4-cyclopentylsulfanylquinazoline?
4-cyclopentylsulfanylquinazoline has a molecular weight of 230.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanylquinazoline is sourced from PubChem (CID 7160394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).