ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate

C13H21N3O3S — CID 80576501

IUPACethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H21N3O3S/c1-3-18-12(17)6-10-9-20-13(15-10)14-7-11-8-16(2)4-5-19-11/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyQZTTXCSGKMMBQE-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.99
Rot. Bonds6

About ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80576501) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80576501
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCC2CN(C)CCO2)n1
InChIInChI=1S/C13H21N3O3S/c1-3-18-12(17)6-10-9-20-13(15-10)14-7-11-8-16(2)4-5-19-11/h9,11H,3-8H2,1-2H3,(H,14,15)
InChIKeyQZTTXCSGKMMBQE-UHFFFAOYSA-N
XLogP0.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80576298
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79071061
ethyl 2-[2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574664
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate (CID 80576501) is ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NCC2CN(C)CCO2)n1.
What is the InChIKey of ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QZTTXCSGKMMBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-18-12(17)6-10-9-20-13(15-10)14-7-11-8-16(2)4-5-19-11/h9,11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 299.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).