(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide

C15H17N3O3S — CID 122304392

IUPAC(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ncc(NC(=O)/C=C/c2cccs2)c(OCC)n1
InChIInChI=1S/C15H17N3O3S/c1-3-20-14-12(10-16-15(18-14)21-4-2)17-13(19)8-7-11-6-5-9-22-11/h5-10H,3-4H2,1-2H3,(H,17,19)/b8-7+
InChIKeyPNUWSAIJCWWKBB-BQYQJAHWSA-N
MW319.39 g/mol
LogP2.99
Rot. Bonds7

About (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 122304392) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID122304392
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ncc(NC(=O)/C=C/c2cccs2)c(OCC)n1
InChIInChI=1S/C15H17N3O3S/c1-3-20-14-12(10-16-15(18-14)21-4-2)17-13(19)8-7-11-6-5-9-22-11/h5-10H,3-4H2,1-2H3,(H,17,19)/b8-7+
InChIKeyPNUWSAIJCWWKBB-BQYQJAHWSA-N
XLogP2.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide 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

(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide
CID 71977432
(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 61015357
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 122304590
(E)-N-[(2-ethoxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1226916
N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
CID 122304278
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674
(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 25061370
N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
CID 122304288
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide (CID 122304392) is (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide is CCOc1ncc(NC(=O)/C=C/c2cccs2)c(OCC)n1.
What is the InChIKey of (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PNUWSAIJCWWKBB-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-20-14-12(10-16-15(18-14)21-4-2)17-13(19)8-7-11-6-5-9-22-11/h5-10H,3-4H2,1-2H3,(H,17,19)/b8-7+.
What are the key properties of (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 319.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 122304392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).