(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide

C19H22N4O3S — CID 9227143

IUPAC(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)CC(=O)N(C)C)cs1
InChIInChI=1S/C19H22N4O3S/c1-14(24)23(16-8-6-5-7-9-16)19-20-15(13-27-19)10-11-17(25)22(4)12-18(26)21(2)3/h5-11,13H,12H2,1-4H3/b11-10+
InChIKeyHTMFZJPQSVXQLI-ZHACJKMWSA-N
MW386.48 g/mol
LogP2.39
Rot. Bonds6

About (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 9227143) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID9227143
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)CC(=O)N(C)C)cs1
InChIInChI=1S/C19H22N4O3S/c1-14(24)23(16-8-6-5-7-9-16)19-20-15(13-27-19)10-11-17(25)22(4)12-18(26)21(2)3/h5-11,13H,12H2,1-4H3/b11-10+
InChIKeyHTMFZJPQSVXQLI-ZHACJKMWSA-N
XLogP2.39
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-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

3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856850
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-ethyl-N-phenylprop-2-enamide
CID 55363317
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 29219581
N-[4-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8685219
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(3-methylbutyl)prop-2-enamide
CID 29204736
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(2R)-2-phenylpropyl]prop-2-enamide
CID 9427302
N-[4-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8856571
N-[4-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8828563
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
CID 9163338
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-hexylprop-2-enamide
CID 75128821
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 24677046
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(2-fluorophenyl)prop-2-enamide
CID 9204035

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide (CID 9227143) is (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide is CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)CC(=O)N(C)C)cs1.
What is the InChIKey of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is HTMFZJPQSVXQLI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14(24)23(16-8-6-5-7-9-16)19-20-15(13-27-19)10-11-17(25)22(4)12-18(26)21(2)3/h5-11,13H,12H2,1-4H3/b11-10+.
What are the key properties of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide?
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 386.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 9227143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).