N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide

C19H22N2O4S — CID 47046298

IUPACN-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCCOC)cc2)cs1
InChIInChI=1S/C19H22N2O4S/c1-4-21(14(2)22)19-20-16(13-26-19)7-10-18(23)15-5-8-17(9-6-15)25-12-11-24-3/h5-10,13H,4,11-12H2,1-3H3/b10-7+
InChIKeyBMBYEISZYOEQQK-JXMROGBWSA-N
MW374.46 g/mol
LogP3.44
Rot. Bonds9

About N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 47046298) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
PubChem CID47046298
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCCOC)cc2)cs1
InChIInChI=1S/C19H22N2O4S/c1-4-21(14(2)22)19-20-16(13-26-19)7-10-18(23)15-5-8-17(9-6-15)25-12-11-24-3/h5-10,13H,4,11-12H2,1-3H3/b10-7+
InChIKeyBMBYEISZYOEQQK-JXMROGBWSA-N
XLogP3.44
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 46663273
N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 46663321
N-ethyl-N-[4-[3-(3-methoxy-4-methylsulfanylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 78905967
N-ethyl-N-[4-[(E)-3-oxo-3-(1,3-thiazol-2-yl)prop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 75407242
2-methoxyethyl (E)-3-[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 46663311
N-[4-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8685219
(E)-3-(3,4-dimethylphenyl)-1-[4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 52644072
butyl (E)-3-[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 46663317
N-(2,4-difluorophenyl)-N-[4-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 24508691
(E)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 55701110
N-[4-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8828563
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 8833043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide (CID 47046298) is N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCCOC)cc2)cs1.
What is the InChIKey of N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BMBYEISZYOEQQK-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-21(14(2)22)19-20-16(13-26-19)7-10-18(23)15-5-8-17(9-6-15)25-12-11-24-3/h5-10,13H,4,11-12H2,1-3H3/b10-7+.
What are the key properties of N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 47046298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).