benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate

C19H25N3O3S — CID 107254761

IUPACbenzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate
SMILESCc1ncsc1C(C)NCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H25N3O3S/c1-14(18-15(2)21-13-26-18)20-10-17-11-22(8-9-24-17)19(23)25-12-16-6-4-3-5-7-16/h3-7,13-14,17,20H,8-12H2,1-2H3
InChIKeyQFZNCGOQOIUAGQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.14
Rot. Bonds6

About benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate

benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate (PubChem CID 107254761) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate
PubChem CID107254761
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Namebenzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate
SMILESCc1ncsc1C(C)NCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C19H25N3O3S/c1-14(18-15(2)21-13-26-18)20-10-17-11-22(8-9-24-17)19(23)25-12-16-6-4-3-5-7-16/h3-7,13-14,17,20H,8-12H2,1-2H3
InChIKeyQFZNCGOQOIUAGQ-UHFFFAOYSA-N
XLogP3.14
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254776
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107254883
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl 2-[[(3-bromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254903

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate (CID 107254761) is benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate is Cc1ncsc1C(C)NCC1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate?
The InChIKey is QFZNCGOQOIUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(18-15(2)21-13-26-18)20-10-17-11-22(8-9-24-17)19(23)25-12-16-6-4-3-5-7-16/h3-7,13-14,17,20H,8-12H2,1-2H3.
What are the key properties of benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate?
benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate has a molecular weight of 375.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107254761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).