4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine

C10H11N3S — CID 141114690

IUPAC4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine
SMILESCCSc1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C10H11N3S/c1-2-14-10-12-7-9(13-10)8-3-5-11-6-4-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeyHJNWBHLGVFSMIJ-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.58
Rot. Bonds3

About 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine

4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine (PubChem CID 141114690) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine.

Molecular Properties

Compound Name4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine
PubChem CID141114690
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine
SMILESCCSc1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C10H11N3S/c1-2-14-10-12-7-9(13-10)8-3-5-11-6-4-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeyHJNWBHLGVFSMIJ-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine?
The IUPAC name of 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine (CID 141114690) is 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine.
What is the SMILES notation for 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine?
The canonical SMILES for 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine is CCSc1ncc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine?
The InChIKey is HJNWBHLGVFSMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-2-14-10-12-7-9(13-10)8-3-5-11-6-4-8/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine?
4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine has a molecular weight of 205.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanyl-1H-imidazol-5-yl)pyridine is sourced from PubChem (CID 141114690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).