N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C26H30N4O3S — CID 24593769

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C26H30N4O3S/c1-32-21-10-11-22(24(17-21)33-2)23-19-34-26(27-23)28-25(31)18-30-15-13-29(14-16-30)12-6-9-20-7-4-3-5-8-20/h3-11,17,19H,12-16,18H2,1-2H3,(H,27,28,31)/b9-6+
InChIKeyVHUOAZVYAPNISY-RMKNXTFCSA-N
MW478.62 g/mol
LogP4.10
Rot. Bonds9

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 24593769) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID24593769
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C26H30N4O3S/c1-32-21-10-11-22(24(17-21)33-2)23-19-34-26(27-23)28-25(31)18-30-15-13-29(14-16-30)12-6-9-20-7-4-3-5-8-20/h3-11,17,19H,12-16,18H2,1-2H3,(H,27,28,31)/b9-6+
InChIKeyVHUOAZVYAPNISY-RMKNXTFCSA-N
XLogP4.10
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 24594067
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 46558789
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 29415371
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499177
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 24593603
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55437110
methyl 4-(4-methoxyphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22199805
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571445
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
N-[4-[1-[3-(3-methoxyphenyl)prop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazol-2-yl]acetamide
CID 88654002
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 24593769) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN3CCN(C/C=C/c4ccccc4)CC3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is VHUOAZVYAPNISY-RMKNXTFCSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-32-21-10-11-22(24(17-21)33-2)23-19-34-26(27-23)28-25(31)18-30-15-13-29(14-16-30)12-6-9-20-7-4-3-5-8-20/h3-11,17,19H,12-16,18H2,1-2H3,(H,27,28,31)/b9-6+.
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 478.62 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24593769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).