[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate

C19H16N2O3S2 — CID 8647962

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)/C=C/c2cccs2)cs1
InChIInChI=1S/C19H16N2O3S2/c1-14(22)21(16-6-3-2-4-7-16)19-20-15(13-26-19)12-24-18(23)10-9-17-8-5-11-25-17/h2-11,13H,12H2,1H3/b10-9+
InChIKeySBQCWBIIPYEXQG-MDZDMXLPSA-N
MW384.48 g/mol
LogP4.65
Rot. Bonds6

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 8647962) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID8647962
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)/C=C/c2cccs2)cs1
InChIInChI=1S/C19H16N2O3S2/c1-14(22)21(16-6-3-2-4-7-16)19-20-15(13-26-19)12-24-18(23)10-9-17-8-5-11-25-17/h2-11,13H,12H2,1H3/b10-9+
InChIKeySBQCWBIIPYEXQG-MDZDMXLPSA-N
XLogP4.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate 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

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl cyclobutanecarboxylate
CID 8019001
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(N-ethylanilino)acetate
CID 53595032
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 5-chlorothiophene-2-carboxylate
CID 7146367
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485306
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7676111
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767028
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7779708
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 3-methylthiophene-2-carboxylate
CID 7835015
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7837766
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849395
4-O-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851483
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl (E)-3-phenylprop-2-enoate
CID 7852816

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate (CID 8647962) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate is CC(=O)N(c1ccccc1)c1nc(COC(=O)/C=C/c2cccs2)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is SBQCWBIIPYEXQG-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-14(22)21(16-6-3-2-4-7-16)19-20-15(13-26-19)12-24-18(23)10-9-17-8-5-11-25-17/h2-11,13H,12H2,1H3/b10-9+.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 384.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 8647962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).