N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide

C13H16N4OS — CID 71858290

IUPACN-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NCCn1ccnc1
InChIInChI=1S/C13H16N4OS/c1-11(19-12-4-2-3-5-15-12)13(18)16-7-9-17-8-6-14-10-17/h2-6,8,10-11H,7,9H2,1H3,(H,16,18)
InChIKeyZJSJWRXGENLVAG-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.58
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide

N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 71858290) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID71858290
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NCCn1ccnc1
InChIInChI=1S/C13H16N4OS/c1-11(19-12-4-2-3-5-15-12)13(18)16-7-9-17-8-6-14-10-17/h2-6,8,10-11H,7,9H2,1H3,(H,16,18)
InChIKeyZJSJWRXGENLVAG-UHFFFAOYSA-N
XLogP1.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide (CID 71858290) is N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is ZJSJWRXGENLVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-11(19-12-4-2-3-5-15-12)13(18)16-7-9-17-8-6-14-10-17/h2-6,8,10-11H,7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 276.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 71858290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).