(2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one

C18H19N3OS — CID 169324654

IUPAC(2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one
SMILESCc1ccc(N(C)[C@@H](C)C(=O)c2nccn2-c2cccs2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-6-8-15(9-7-13)20(3)14(2)17(22)18-19-10-11-21(18)16-5-4-12-23-16/h4-12,14H,1-3H3/t14-/m0/s1
InChIKeyBJVUNEGGIFRECZ-AWEZNQCLSA-N
MW325.44 g/mol
LogP3.95
Rot. Bonds5

About (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one

(2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one (PubChem CID 169324654) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one
PubChem CID169324654
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one
SMILESCc1ccc(N(C)[C@@H](C)C(=O)c2nccn2-c2cccs2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-6-8-15(9-7-13)20(3)14(2)17(22)18-19-10-11-21(18)16-5-4-12-23-16/h4-12,14H,1-3H3/t14-/m0/s1
InChIKeyBJVUNEGGIFRECZ-AWEZNQCLSA-N
XLogP3.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-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

Related Compounds

(2S)-2-[N-(3-methoxypropyl)anilino]-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one
CID 169324664
(2S)-2-(N-ethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)octan-1-one
CID 169324638
2-phenyl-1-(1-thiophen-2-ylimidazol-2-yl)ethanone
CID 164687398
N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide
CID 71131185
(2S)-2-(N,4-dimethylanilino)-3-methylbutanoic acid
CID 70572600
N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
CID 165362140
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
1-methyl-1-propan-2-yl-3-(1-thiophen-2-ylpiperidin-4-yl)urea
CID 126813877
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 79487177
(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one
CID 134955085
5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 141280190
1-(4-methylphenyl)-1-(thiophene-2-carbonylamino)urea
CID 22299475

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one?
The IUPAC name of (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one (CID 169324654) is (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one?
The canonical SMILES for (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one is Cc1ccc(N(C)[C@@H](C)C(=O)c2nccn2-c2cccs2)cc1.
What is the InChIKey of (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one?
The InChIKey is BJVUNEGGIFRECZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-6-8-15(9-7-13)20(3)14(2)17(22)18-19-10-11-21(18)16-5-4-12-23-16/h4-12,14H,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one?
(2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one has a molecular weight of 325.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N,4-dimethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 169324654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).