[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

C14H13N3OS2 — CID 3241322

IUPAC[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C14H13N3OS2/c18-13(12-4-2-8-19-12)17-7-6-16-14(17)20-10-11-3-1-5-15-9-11/h1-5,8-9H,6-7,10H2
InChIKeyIGUSFGOYRQOEDR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.89
Rot. Bonds3

About [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 3241322) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
PubChem CID3241322
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C14H13N3OS2/c18-13(12-4-2-8-19-12)17-7-6-16-14(17)20-10-11-3-1-5-15-9-11/h1-5,8-9H,6-7,10H2
InChIKeyIGUSFGOYRQOEDR-UHFFFAOYSA-N
XLogP2.89
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (CID 3241322) is [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN=C1SCc1cccnc1.
What is the InChIKey of [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is IGUSFGOYRQOEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c18-13(12-4-2-8-19-12)17-7-6-16-14(17)20-10-11-3-1-5-15-9-11/h1-5,8-9H,6-7,10H2.
What are the key properties of [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3241322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).