(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'}

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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).