(Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one

C15H16N2OS — CID 58582608

IUPAC(Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one
SMILESCN(C)c1ccc(N/C=C\C(=O)c2ccsc2)cc1
InChIInChI=1S/C15H16N2OS/c1-17(2)14-5-3-13(4-6-14)16-9-7-15(18)12-8-10-19-11-12/h3-11,16H,1-2H3/b9-7-
InChIKeyXNLFUPOIFANTFN-CLFYSBASSA-N
MW272.37 g/mol
LogP3.62
Rot. Bonds5

About (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one

(Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one (PubChem CID 58582608) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one
PubChem CID58582608
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one
SMILESCN(C)c1ccc(N/C=C\C(=O)c2ccsc2)cc1
InChIInChI=1S/C15H16N2OS/c1-17(2)14-5-3-13(4-6-14)16-9-7-15(18)12-8-10-19-11-12/h3-11,16H,1-2H3/b9-7-
InChIKeyXNLFUPOIFANTFN-CLFYSBASSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one (CID 58582608) is (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one is CN(C)c1ccc(N/C=C\C(=O)c2ccsc2)cc1.
What is the InChIKey of (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one?
The InChIKey is XNLFUPOIFANTFN-CLFYSBASSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(2)14-5-3-13(4-6-14)16-9-7-15(18)12-8-10-19-11-12/h3-11,16H,1-2H3/b9-7-.
What are the key properties of (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one?
(Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one has a molecular weight of 272.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(dimethylamino)anilino]-1-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 58582608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).