2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol

C14H16N2OS — CID 62468746

IUPAC2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol
SMILESCCNc1cc(CSc2ccccc2O)ccn1
InChIInChI=1S/C14H16N2OS/c1-2-15-14-9-11(7-8-16-14)10-18-13-6-4-3-5-12(13)17/h3-9,17H,2,10H2,1H3,(H,15,16)
InChIKeyMESKFDKCWYGWTL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.51
Rot. Bonds5

About 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol

2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol (PubChem CID 62468746) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol
PubChem CID62468746
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol
SMILESCCNc1cc(CSc2ccccc2O)ccn1
InChIInChI=1S/C14H16N2OS/c1-2-15-14-9-11(7-8-16-14)10-18-13-6-4-3-5-12(13)17/h3-9,17H,2,10H2,1H3,(H,15,16)
InChIKeyMESKFDKCWYGWTL-UHFFFAOYSA-N
XLogP3.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol?
The IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol (CID 62468746) is 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol.
What is the SMILES notation for 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol?
The canonical SMILES for 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol is CCNc1cc(CSc2ccccc2O)ccn1.
What is the InChIKey of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol?
The InChIKey is MESKFDKCWYGWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-15-14-9-11(7-8-16-14)10-18-13-6-4-3-5-12(13)17/h3-9,17H,2,10H2,1H3,(H,15,16).
What are the key properties of 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol?
2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol has a molecular weight of 260.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol is sourced from PubChem (CID 62468746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).