4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide

C25H32N4O3S — CID 22719581

IUPAC4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCOCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(C4CCNCC4)c3s2)cc1
InChIInChI=1S/C25H32N4O3S/c1-29(14-15-31-2)16-17-4-6-19(7-5-17)24(30)28-25-27-22-21(32-3)9-8-20(23(22)33-25)18-10-12-26-13-11-18/h4-9,18,26H,10-16H2,1-3H3,(H,27,28,30)
InChIKeyPFRPEDXQLXPTHV-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.10
Rot. Bonds9

About 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide

4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 22719581) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID22719581
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCOCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(C4CCNCC4)c3s2)cc1
InChIInChI=1S/C25H32N4O3S/c1-29(14-15-31-2)16-17-4-6-19(7-5-17)24(30)28-25-27-22-21(32-3)9-8-20(23(22)33-25)18-10-12-26-13-11-18/h4-9,18,26H,10-16H2,1-3H3,(H,27,28,30)
InChIKeyPFRPEDXQLXPTHV-UHFFFAOYSA-N
XLogP4.10
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-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

4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22719578
N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)-4-methylbenzamide;hydrochloride
CID 22719572
4-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 22719560
N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide
CID 22283321
methyl 4-[2-[(4-fluorobenzoyl)amino]-4-methoxy-1,3-benzothiazol-7-yl]piperidine-1-carboxylate
CID 86588849
N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)-4-[4-methoxy-2-(1H-pyrrol-2-yl)butan-2-yl]benzamide
CID 91436941
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22283209
4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
CID 10172774
4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide
CID 146624004
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-fluoro-N-[4-methoxy-7-[methyl(oxan-4-yl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 10173219
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide (CID 22719581) is 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide is COCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(C4CCNCC4)c3s2)cc1.
What is the InChIKey of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is PFRPEDXQLXPTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-29(14-15-31-2)16-17-4-6-19(7-5-17)24(30)28-25-27-22-21(32-3)9-8-20(23(22)33-25)18-10-12-26-13-11-18/h4-9,18,26H,10-16H2,1-3H3,(H,27,28,30).
What are the key properties of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide?
4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 468.62 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 22719581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).