2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C24H26N4O4S — CID 24594067

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(C(=O)c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C24H26N4O4S/c1-31-18-8-9-19(21(14-18)32-2)20-16-33-24(25-20)26-22(29)15-27-10-12-28(13-11-27)23(30)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,26,29)
InChIKeyZNTDDVWRZRBHKA-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.22
Rot. Bonds7

About 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24594067) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID24594067
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(C(=O)c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C24H26N4O4S/c1-31-18-8-9-19(21(14-18)32-2)20-16-33-24(25-20)26-22(29)15-27-10-12-28(13-11-27)23(30)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,26,29)
InChIKeyZNTDDVWRZRBHKA-UHFFFAOYSA-N
XLogP3.22
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24593769
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
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571445
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]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564148
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
N-[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 18290094

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 24594067) is 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN3CCN(C(=O)c4ccccc4)CC3)n2)c(OC)c1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZNTDDVWRZRBHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-31-18-8-9-19(21(14-18)32-2)20-16-33-24(25-20)26-22(29)15-27-10-12-28(13-11-27)23(30)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,26,29).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 466.56 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24594067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).