methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate

C15H26N4O3S — CID 126841731

IUPACmethyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate
SMILESCCNc1nc(CN(CCN2CCOCC2)CC(=O)OC)cs1
InChIInChI=1S/C15H26N4O3S/c1-3-16-15-17-13(12-23-15)10-19(11-14(20)21-2)5-4-18-6-8-22-9-7-18/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyBQTLLXQOCKPHQD-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.88
Rot. Bonds9

About methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate

methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate (PubChem CID 126841731) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate
PubChem CID126841731
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Namemethyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate
SMILESCCNc1nc(CN(CCN2CCOCC2)CC(=O)OC)cs1
InChIInChI=1S/C15H26N4O3S/c1-3-16-15-17-13(12-23-15)10-19(11-14(20)21-2)5-4-18-6-8-22-9-7-18/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyBQTLLXQOCKPHQD-UHFFFAOYSA-N
XLogP0.88
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate with MolForge

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Related Compounds

4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 2125344
N-(2-methoxyethyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 53522971
N-(2-methoxyethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 53613116
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3229599
4-((2,6-Dimethylmorpholin-4-yl)methyl)-1,3-thiazol-2-amine
CID 16227646
1-(4-Methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
CID 127575170
4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
CID 38131593
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 86784120
ethyl (2S)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
CID 99785659
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 118781049
4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 124843875
4-(Morpholinomethyl)thiazol-2-amine trifluoroacetate
CID 86660237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate?
The IUPAC name of methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate (CID 126841731) is methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate?
The canonical SMILES for methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate is CCNc1nc(CN(CCN2CCOCC2)CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate?
The InChIKey is BQTLLXQOCKPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-3-16-15-17-13(12-23-15)10-19(11-14(20)21-2)5-4-18-6-8-22-9-7-18/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate?
methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate has a molecular weight of 342.47 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethylamino)-1,3-thiazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]acetate is sourced from PubChem (CID 126841731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).