2-(pyridin-2-ylsulfanylmethyl)quinazoline

C14H11N3S — CID 156587667

IUPAC2-(pyridin-2-ylsulfanylmethyl)quinazoline
SMILESc1ccc(SCc2ncc3ccccc3n2)nc1
InChIInChI=1S/C14H11N3S/c1-2-6-12-11(5-1)9-16-13(17-12)10-18-14-7-3-4-8-15-14/h1-9H,10H2
InChIKeyKGXMRAQIWMCVKT-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.32
Rot. Bonds3

About 2-(pyridin-2-ylsulfanylmethyl)quinazoline

2-(pyridin-2-ylsulfanylmethyl)quinazoline (PubChem CID 156587667) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(pyridin-2-ylsulfanylmethyl)quinazoline.

Molecular Properties

Compound Name2-(pyridin-2-ylsulfanylmethyl)quinazoline
PubChem CID156587667
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name2-(pyridin-2-ylsulfanylmethyl)quinazoline
SMILESc1ccc(SCc2ncc3ccccc3n2)nc1
InChIInChI=1S/C14H11N3S/c1-2-6-12-11(5-1)9-16-13(17-12)10-18-14-7-3-4-8-15-14/h1-9H,10H2
InChIKeyKGXMRAQIWMCVKT-UHFFFAOYSA-N
XLogP3.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 88543668
CID 88543668
2-ethylquinazoline;hydrochloride
CID 153374561
N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189453
2-(pyridin-2-ylmethylsulfanyl)quinoline
CID 19850809
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
4-(pyridin-2-ylsulfanylmethyl)benzonitrile
CID 4301223
5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059734
N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221339
2-(2-thiophen-2-ylethyl)quinazoline
CID 172682784
5-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774891
3-quinazolin-2-ylprop-1-ene-1-thiol
CID 173230553

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylsulfanylmethyl)quinazoline?
The IUPAC name of 2-(pyridin-2-ylsulfanylmethyl)quinazoline (CID 156587667) is 2-(pyridin-2-ylsulfanylmethyl)quinazoline.
What is the SMILES notation for 2-(pyridin-2-ylsulfanylmethyl)quinazoline?
The canonical SMILES for 2-(pyridin-2-ylsulfanylmethyl)quinazoline is c1ccc(SCc2ncc3ccccc3n2)nc1.
What is the InChIKey of 2-(pyridin-2-ylsulfanylmethyl)quinazoline?
The InChIKey is KGXMRAQIWMCVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-2-6-12-11(5-1)9-16-13(17-12)10-18-14-7-3-4-8-15-14/h1-9H,10H2.
What are the key properties of 2-(pyridin-2-ylsulfanylmethyl)quinazoline?
2-(pyridin-2-ylsulfanylmethyl)quinazoline has a molecular weight of 253.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylsulfanylmethyl)quinazoline is sourced from PubChem (CID 156587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).