methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate

C11H19N3O3S — CID 113307080

IUPACmethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOCCN(C)CCNc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H19N3O3S/c1-14(6-7-16-2)5-4-12-11-13-9(8-18-11)10(15)17-3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyXAGKDESVGCUHEA-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.92
Rot. Bonds8

About methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate

methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 113307080) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID113307080
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOCCN(C)CCNc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H19N3O3S/c1-14(6-7-16-2)5-4-12-11-13-9(8-18-11)10(15)17-3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyXAGKDESVGCUHEA-UHFFFAOYSA-N
XLogP0.92
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113307081
methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
CID 62848698
methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103466455
methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423580
methyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106006432
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62845386
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 2-(2-pyrrolidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 115424261
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697982
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 115424823
methyl 2-(4,5-dihydroxypentylamino)-1,3-thiazole-4-carboxylate
CID 155592482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate (CID 113307080) is methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate is COCCN(C)CCNc1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is XAGKDESVGCUHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14(6-7-16-2)5-4-12-11-13-9(8-18-11)10(15)17-3/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate?
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 273.36 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).