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

C21H21N3O3S — CID 9265982

IUPACN-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C21H21N3O3S/c25-21(16-5-7-18(8-6-16)27-13-17-14-28-15-22-17)23-19-3-1-2-4-20(19)24-9-11-26-12-10-24/h1-8,14-15H,9-13H2,(H,23,25)
InChIKeyLTBKESSPXWAHEX-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.81
Rot. Bonds6

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

N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 9265982) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID9265982
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C21H21N3O3S/c25-21(16-5-7-18(8-6-16)27-13-17-14-28-15-22-17)23-19-3-1-2-4-20(19)24-9-11-26-12-10-24/h1-8,14-15H,9-13H2,(H,23,25)
InChIKeyLTBKESSPXWAHEX-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

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Related Compounds

n-[2-Methyl-5-[5-(morpholin-4-ylmethyl)1,3-thiazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68747277
N-[2,4-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 156013465
2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095483
n-(2-Methyl-5-1,3-thiazol-2-yl-phenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 67379418
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24794214
3-Fluoro-N-{4-methyl-3-[4-(2-methyl-thiazol-4-ylmethoxy)-benzoylamino]-phenyl}-5-morpholin-4-yl-benzamide
CID 44395041
N-[4-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
CID 44395203
3-Fluoro-N-{4-methyl-3-[4-(thiazol-4-ylmethoxy)-benzoylamino]-phenyl}-5-morpholin-4-yl-benzamide
CID 44395240
N-[4-methyl-3-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
CID 44395257
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-4-(thiazol-4-yl)benzamide
CID 91885413
N-(2-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)-phenyl)furan-2-carboxamide
CID 129046732
4-Butoxy-N-(3-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 5167171

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 9265982) is N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is LTBKESSPXWAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(16-5-7-18(8-6-16)27-13-17-14-28-15-22-17)23-19-3-1-2-4-20(19)24-9-11-26-12-10-24/h1-8,14-15H,9-13H2,(H,23,25).
What are the key properties of N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2-morpholin-4-ylphenyl)-4-(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-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 9265982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).