2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile

C14H13N3S — CID 60893650

IUPAC2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1ncnc2ccccc12
InChIInChI=1S/C14H13N3S/c15-8-10-4-3-7-13(10)18-14-11-5-1-2-6-12(11)16-9-17-14/h1-2,5-6,9-10,13H,3-4,7H2
InChIKeyYCBSUDMDIFHNNS-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.41
Rot. Bonds2

About 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile

2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile (PubChem CID 60893650) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
PubChem CID60893650
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1ncnc2ccccc12
InChIInChI=1S/C14H13N3S/c15-8-10-4-3-7-13(10)18-14-11-5-1-2-6-12(11)16-9-17-14/h1-2,5-6,9-10,13H,3-4,7H2
InChIKeyYCBSUDMDIFHNNS-UHFFFAOYSA-N
XLogP3.41
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile (CID 60893650) is 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile is N#CC1CCCC1Sc1ncnc2ccccc12.
What is the InChIKey of 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile?
The InChIKey is YCBSUDMDIFHNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-8-10-4-3-7-13(10)18-14-11-5-1-2-6-12(11)16-9-17-14/h1-2,5-6,9-10,13H,3-4,7H2.
What are the key properties of 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile?
2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile has a molecular weight of 255.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 60893650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).