N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C19H24N4O3S — CID 166220691

IUPACN-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)N1CCN(Cc2cccc(NC(=O)Cn3c(C)csc3=O)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-14-13-27-19(26)23(14)12-18(25)20-17-5-3-4-16(10-17)11-21-6-8-22(9-7-21)15(2)24/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,25)
InChIKeyUPUMBZNDRDSOOM-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.52
Rot. Bonds5

About N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 166220691) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID166220691
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)N1CCN(Cc2cccc(NC(=O)Cn3c(C)csc3=O)c2)CC1
InChIInChI=1S/C19H24N4O3S/c1-14-13-27-19(26)23(14)12-18(25)20-17-5-3-4-16(10-17)11-21-6-8-22(9-7-21)15(2)24/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,25)
InChIKeyUPUMBZNDRDSOOM-UHFFFAOYSA-N
XLogP1.52
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 86839413
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836840
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 86917550
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
2-(2-methylindol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 47776662
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9488591
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 166220691) is N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CC(=O)N1CCN(Cc2cccc(NC(=O)Cn3c(C)csc3=O)c2)CC1.
What is the InChIKey of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is UPUMBZNDRDSOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14-13-27-19(26)23(14)12-18(25)20-17-5-3-4-16(10-17)11-21-6-8-22(9-7-21)15(2)24/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,20,25).
What are the key properties of N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 166220691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).