N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C24H27N5O2S — CID 56517810

IUPACN-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN1CCN(c2ccccc2CNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1
InChIInChI=1S/C24H27N5O2S/c1-28-11-13-29(14-12-28)21-10-6-5-9-19(21)16-25-22(30)15-20-17-32-24(26-20)27-23(31)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,25,30)(H,26,27,31)
InChIKeyHFSFBYHRMRGDMA-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.01
Rot. Bonds7

About N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56517810) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID56517810
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN1CCN(c2ccccc2CNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1
InChIInChI=1S/C24H27N5O2S/c1-28-11-13-29(14-12-28)21-10-6-5-9-19(21)16-25-22(30)15-20-17-32-24(26-20)27-23(31)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,25,30)(H,26,27,31)
InChIKeyHFSFBYHRMRGDMA-UHFFFAOYSA-N
XLogP3.01
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide 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

N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830380
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 56518179
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 56517810) is N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CN1CCN(c2ccccc2CNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1.
What is the InChIKey of N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HFSFBYHRMRGDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-28-11-13-29(14-12-28)21-10-6-5-9-19(21)16-25-22(30)15-20-17-32-24(26-20)27-23(31)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,25,30)(H,26,27,31).
What are the key properties of N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 449.58 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56517810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).