(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide

C19H22N4O2S — CID 9271884

IUPAC(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NN2CCCCC2)cs1
InChIInChI=1S/C19H22N4O2S/c1-15(24)23(17-8-4-2-5-9-17)19-20-16(14-26-19)10-11-18(25)21-22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,21,25)/b11-10+
InChIKeyLUFRYQWHAAYYRO-ZHACJKMWSA-N
MW370.48 g/mol
LogP3.36
Rot. Bonds5

About (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide (PubChem CID 9271884) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide
PubChem CID9271884
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NN2CCCCC2)cs1
InChIInChI=1S/C19H22N4O2S/c1-15(24)23(17-8-4-2-5-9-17)19-20-16(14-26-19)10-11-18(25)21-22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,21,25)/b11-10+
InChIKeyLUFRYQWHAAYYRO-ZHACJKMWSA-N
XLogP3.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(2-fluorophenyl)prop-2-enamide
CID 9204035
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(oxan-4-yl)prop-2-enamide
CID 71890280
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]prop-2-enamide
CID 41295095
N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 26244284
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(3-methylbutyl)prop-2-enamide
CID 29204736
N-[4-[(E)-3-(4-cyclopentylpiperazin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 55591757
methyl (2S)-2-[[(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277913
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
CID 9163338
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(2R)-2-phenylpropyl]prop-2-enamide
CID 9427302
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-(2,2-dimethyl-1-thiophen-2-ylpropyl)prop-2-enamide
CID 55777793
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 78758975

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide?
The IUPAC name of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide (CID 9271884) is (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide?
The canonical SMILES for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide is CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NN2CCCCC2)cs1.
What is the InChIKey of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide?
The InChIKey is LUFRYQWHAAYYRO-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-15(24)23(17-8-4-2-5-9-17)19-20-16(14-26-19)10-11-18(25)21-22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,21,25)/b11-10+.
What are the key properties of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide?
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-piperidin-1-ylprop-2-enamide has a molecular weight of 370.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 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-piperidin-1-ylprop-2-enamide is sourced from PubChem (CID 9271884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).