ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate

C13H21N3O3S — CID 118176651

IUPACethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1cnc(N2CCOCC2)s1
InChIInChI=1S/C13H21N3O3S/c1-2-19-12(17)3-4-14-9-11-10-15-13(20-11)16-5-7-18-8-6-16/h10,14H,2-9H2,1H3
InChIKeyUHVULUIRUWSZIS-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.02
Rot. Bonds7

About ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate

ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate (PubChem CID 118176651) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate
PubChem CID118176651
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1cnc(N2CCOCC2)s1
InChIInChI=1S/C13H21N3O3S/c1-2-19-12(17)3-4-14-9-11-10-15-13(20-11)16-5-7-18-8-6-16/h10,14H,2-9H2,1H3
InChIKeyUHVULUIRUWSZIS-UHFFFAOYSA-N
XLogP1.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 686432
N,N-diethyl-5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 53626923
ethyl 3-[(4E)-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl]propanoate
CID 136082773
5-(Morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87112178
(5-Morpholin-4-ylmethyl-thiazol-2-yl)-carbamic acid methyl ester
CID 778121
N,N-diethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-1,3-thiazol-2-amine
CID 61809300
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750616
N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752680
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752862
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 65529997
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103081048
N-(2,2-difluoroethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 113503151

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate?
The IUPAC name of ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate (CID 118176651) is ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate is CCOC(=O)CCNCc1cnc(N2CCOCC2)s1.
What is the InChIKey of ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate?
The InChIKey is UHVULUIRUWSZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-19-12(17)3-4-14-9-11-10-15-13(20-11)16-5-7-18-8-6-16/h10,14H,2-9H2,1H3.
What are the key properties of ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate?
ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate has a molecular weight of 299.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]propanoate is sourced from PubChem (CID 118176651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).