N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C20H28N4O2S — CID 39302058

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2S/c1-17-16-27-20(26)24(17)9-7-19(25)21-8-10-22-11-13-23(14-12-22)15-18-5-3-2-4-6-18/h2-6,16H,7-15H2,1H3,(H,21,25)
InChIKeyWHCOICYLKMUVAX-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.54
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 39302058) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID39302058
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2S/c1-17-16-27-20(26)24(17)9-7-19(25)21-8-10-22-11-13-23(14-12-22)15-18-5-3-2-4-6-18/h2-6,16H,7-15H2,1H3,(H,21,25)
InChIKeyWHCOICYLKMUVAX-UHFFFAOYSA-N
XLogP1.54
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
CID 17429509
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018121
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39301978
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9488591
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 166220691
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 39302058) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is WHCOICYLKMUVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-17-16-27-20(26)24(17)9-7-19(25)21-8-10-22-11-13-23(14-12-22)15-18-5-3-2-4-6-18/h2-6,16H,7-15H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 388.54 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 39302058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).