N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

C21H21N3O3S — CID 87042478

IUPACN-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1OCc1cscn1
InChIInChI=1S/C21H21N3O3S/c25-21(19-6-1-2-7-20(19)27-13-17-14-28-15-22-17)23-16-4-3-5-18(12-16)24-8-10-26-11-9-24/h1-7,12,14-15H,8-11,13H2,(H,23,25)
InChIKeyXALAYLLJZJCQGF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.81
Rot. Bonds6

About N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 87042478) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID87042478
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1OCc1cscn1
InChIInChI=1S/C21H21N3O3S/c25-21(19-6-1-2-7-20(19)27-13-17-14-28-15-22-17)23-16-4-3-5-18(12-16)24-8-10-26-11-9-24/h1-7,12,14-15H,8-11,13H2,(H,23,25)
InChIKeyXALAYLLJZJCQGF-UHFFFAOYSA-N
XLogP3.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)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-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87004703
N-(4-ethoxy-3-methoxyphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816507
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78817892
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
N-(3-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71938580
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86979350
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 87042478) is N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1cccc(N2CCOCC2)c1)c1ccccc1OCc1cscn1.
What is the InChIKey of N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is XALAYLLJZJCQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(19-6-1-2-7-20(19)27-13-17-14-28-15-22-17)23-16-4-3-5-18(12-16)24-8-10-26-11-9-24/h1-7,12,14-15H,8-11,13H2,(H,23,25).
What are the key properties of N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 87042478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).