methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate

C18H22N2O3S — CID 99843497

IUPACmethyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc([C@@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C18H22N2O3S/c1-22-17(21)8-7-15-13-24-18(19-15)16-12-20(9-10-23-16)11-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3/t16-/m0/s1
InChIKeyFSJQIMGDSXHSHZ-INIZCTEOSA-N
MW346.45 g/mol
LogP2.82
Rot. Bonds6

About methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate

methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate (PubChem CID 99843497) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate
PubChem CID99843497
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Namemethyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc([C@@H]2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C18H22N2O3S/c1-22-17(21)8-7-15-13-24-18(19-15)16-12-20(9-10-23-16)11-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3/t16-/m0/s1
InChIKeyFSJQIMGDSXHSHZ-INIZCTEOSA-N
XLogP2.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(4-benzylmorpholin-2-yl)acetamide
CID 91784573
2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine
CID 113369421
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
methyl 3-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107039750
2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79078482
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate (CID 99843497) is methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc([C@@H]2CN(Cc3ccccc3)CCO2)n1.
What is the InChIKey of methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate?
The InChIKey is FSJQIMGDSXHSHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-17(21)8-7-15-13-24-18(19-15)16-12-20(9-10-23-16)11-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3/t16-/m0/s1.
What are the key properties of methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate has a molecular weight of 346.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 99843497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).