(E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one

C15H16N2OS — CID 16611934

IUPAC(E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCC(C)/N=c1\ccccn1C(=O)/C=C/c1cccs1
InChIInChI=1S/C15H16N2OS/c1-12(2)16-14-7-3-4-10-17(14)15(18)9-8-13-6-5-11-19-13/h3-12H,1-2H3/b9-8+,16-14+
InChIKeyUPGVHHZKWDIZNX-AXZFEOQBSA-N
MW272.37 g/mol
LogP3.21
Rot. Bonds3

About (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one

(E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 16611934) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID16611934
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCC(C)/N=c1\ccccn1C(=O)/C=C/c1cccs1
InChIInChI=1S/C15H16N2OS/c1-12(2)16-14-7-3-4-10-17(14)15(18)9-8-13-6-5-11-19-13/h3-12H,1-2H3/b9-8+,16-14+
InChIKeyUPGVHHZKWDIZNX-AXZFEOQBSA-N
XLogP3.21
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one (CID 16611934) is (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one is CC(C)/N=c1\ccccn1C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is UPGVHHZKWDIZNX-AXZFEOQBSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12(2)16-14-7-3-4-10-17(14)15(18)9-8-13-6-5-11-19-13/h3-12H,1-2H3/b9-8+,16-14+.
What are the key properties of (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 272.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-propan-2-ylimino-1-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 16611934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).