(E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C17H23N3O2S — CID 51095691

IUPAC(E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCN(CC)C(CNC(=O)/C=C/c1csc(C)n1)c1ccco1
InChIInChI=1S/C17H23N3O2S/c1-4-20(5-2)15(16-7-6-10-22-16)11-18-17(21)9-8-14-12-23-13(3)19-14/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,21)/b9-8+
InChIKeyCZHSXLCUNCTPRJ-CMDGGOBGSA-N
MW333.46 g/mol
LogP3.26
Rot. Bonds8

About (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 51095691) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID51095691
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCN(CC)C(CNC(=O)/C=C/c1csc(C)n1)c1ccco1
InChIInChI=1S/C17H23N3O2S/c1-4-20(5-2)15(16-7-6-10-22-16)11-18-17(21)9-8-14-12-23-13(3)19-14/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,21)/b9-8+
InChIKeyCZHSXLCUNCTPRJ-CMDGGOBGSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.26
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)-N-(2-ethylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115612896
(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 39961753
(E)-N-[(2R)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 83058567
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47447577
(E)-N-(2-hydroxy-4-methylpentyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 113258722
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47082097
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 55446174
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 47142635
5-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]methyl]hexanoic acid
CID 77071057
ethyl N-[4-methyl-1-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]pentan-2-yl]carbamate
CID 55673792
(E)-N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 100899597
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 51095691) is (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is CCN(CC)C(CNC(=O)/C=C/c1csc(C)n1)c1ccco1.
What is the InChIKey of (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is CZHSXLCUNCTPRJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-20(5-2)15(16-7-6-10-22-16)11-18-17(21)9-8-14-12-23-13(3)19-14/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,21)/b9-8+.
What are the key properties of (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 333.46 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 51095691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).