(E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

C25H26N4O3S — CID 41160050

IUPAC(E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCOc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)CC1
InChIInChI=1S/C25H26N4O3S/c1-32-22-10-6-5-9-21(22)28-13-15-29(16-14-28)24(31)17-20-18-33-25(26-20)27-23(30)12-11-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3,(H,26,27,30)/b12-11+
InChIKeyLGGRBFPAMLZMOL-VAWYXSNFSA-N
MW462.58 g/mol
LogP3.69
Rot. Bonds7

About (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

(E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 41160050) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID41160050
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name(E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCOc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)CC1
InChIInChI=1S/C25H26N4O3S/c1-32-22-10-6-5-9-21(22)28-13-15-29(16-14-28)24(31)17-20-18-33-25(26-20)27-23(30)12-11-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3,(H,26,27,30)/b12-11+
InChIKeyLGGRBFPAMLZMOL-VAWYXSNFSA-N
XLogP3.69
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 45497621
N-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 71962223
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41160004
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 16881496
4-methoxy-N-[2-[[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4536562
methyl 2-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 102534641
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229532
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanone
CID 16900268
(E)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 16820246
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 16899929
2-(2-anilino-1,3-thiazol-4-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 27377709
2-[[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 16899552

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (CID 41160050) is (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is COc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)CC1.
What is the InChIKey of (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is LGGRBFPAMLZMOL-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-32-22-10-6-5-9-21(22)28-13-15-29(16-14-28)24(31)17-20-18-33-25(26-20)27-23(30)12-11-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3,(H,26,27,30)/b12-11+.
What are the key properties of (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
(E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 462.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 41160050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).