benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate

C17H21N3O3S — CID 107254883

IUPACbenzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC(CNCc2nccs2)C1
InChIInChI=1S/C17H21N3O3S/c21-17(23-13-14-4-2-1-3-5-14)20-7-8-22-15(12-20)10-18-11-16-19-6-9-24-16/h1-6,9,15,18H,7-8,10-13H2
InChIKeyQYXQIDJISJATFF-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.27
Rot. Bonds6

About benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate

benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate (PubChem CID 107254883) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
PubChem CID107254883
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Namebenzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC(CNCc2nccs2)C1
InChIInChI=1S/C17H21N3O3S/c21-17(23-13-14-4-2-1-3-5-14)20-7-8-22-15(12-20)10-18-11-16-19-6-9-24-16/h1-6,9,15,18H,7-8,10-13H2
InChIKeyQYXQIDJISJATFF-UHFFFAOYSA-N
XLogP2.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[[(3-bromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254903
benzyl 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254957
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254992
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254761
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate (CID 107254883) is benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate is O=C(OCc1ccccc1)N1CCOC(CNCc2nccs2)C1.
What is the InChIKey of benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate?
The InChIKey is QYXQIDJISJATFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-17(23-13-14-4-2-1-3-5-14)20-7-8-22-15(12-20)10-18-11-16-19-6-9-24-16/h1-6,9,15,18H,7-8,10-13H2.
What are the key properties of benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate?
benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107254883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).