N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

C23H25N3O3S — CID 78837143

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccccc1OCc1cscn1
InChIInChI=1S/C23H25N3O3S/c27-23(21-8-4-5-9-22(21)29-15-19-16-30-17-25-19)24-12-20-14-26(10-11-28-20)13-18-6-2-1-3-7-18/h1-9,16-17,20H,10-15H2,(H,24,27)
InChIKeyKRHIDVIEVMJNNG-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.35
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 78837143) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID78837143
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccccc1OCc1cscn1
InChIInChI=1S/C23H25N3O3S/c27-23(21-8-4-5-9-22(21)29-15-19-16-30-17-25-19)24-12-20-14-26(10-11-28-20)13-18-6-2-1-3-7-18/h1-9,16-17,20H,10-15H2,(H,24,27)
InChIKeyKRHIDVIEVMJNNG-UHFFFAOYSA-N
XLogP3.35
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24640675
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
4-amino-N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-2-(3-phenylpropoxy)benzamide
CID 14881958
4-amino-2-(3-aminopropoxy)-N-[(4-benzylmorpholin-2-yl)methyl]-5-chlorobenzamide
CID 14881951
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600735
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531255
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 35054371
2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639786

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 78837143) is N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NCC1CN(Cc2ccccc2)CCO1)c1ccccc1OCc1cscn1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is KRHIDVIEVMJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23(21-8-4-5-9-22(21)29-15-19-16-30-17-25-19)24-12-20-14-26(10-11-28-20)13-18-6-2-1-3-7-18/h1-9,16-17,20H,10-15H2,(H,24,27).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 423.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 78837143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).