2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine

C10H11N3S — CID 10398042

IUPAC2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine
SMILESc1ccc(SCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H11N3S/c1-2-5-12-10(3-1)14-6-4-9-7-11-8-13-9/h1-3,5,7-8H,4,6H2,(H,11,13)
InChIKeyGXHNUDOFXIPBLR-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine

2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine (PubChem CID 10398042) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine
PubChem CID10398042
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine
SMILESc1ccc(SCCc2cnc[nH]2)nc1
InChIInChI=1S/C10H11N3S/c1-2-5-12-10(3-1)14-6-4-9-7-11-8-13-9/h1-3,5,7-8H,4,6H2,(H,11,13)
InChIKeyGXHNUDOFXIPBLR-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine (CID 10398042) is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine is c1ccc(SCCc2cnc[nH]2)nc1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine?
The InChIKey is GXHNUDOFXIPBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-2-5-12-10(3-1)14-6-4-9-7-11-8-13-9/h1-3,5,7-8H,4,6H2,(H,11,13).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine?
2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine has a molecular weight of 205.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]pyridine is sourced from PubChem (CID 10398042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).