ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate

C13H21N3O3S — CID 79363751

IUPACethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC1CN(C)CCO1
InChIInChI=1S/C13H21N3O3S/c1-4-18-13(17)11-9(2)15-20-12(11)14-7-10-8-16(3)5-6-19-10/h10,14H,4-8H2,1-3H3
InChIKeyIZFXLNPKPOHIKK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.37
Rot. Bonds5

About ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate

ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate (PubChem CID 79363751) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
PubChem CID79363751
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC1CN(C)CCO1
InChIInChI=1S/C13H21N3O3S/c1-4-18-13(17)11-9(2)15-20-12(11)14-7-10-8-16(3)5-6-19-10/h10,14H,4-8H2,1-3H3
InChIKeyIZFXLNPKPOHIKK-UHFFFAOYSA-N
XLogP1.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate (CID 79363751) is ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCC1CN(C)CCO1.
What is the InChIKey of ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is IZFXLNPKPOHIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-18-13(17)11-9(2)15-20-12(11)14-7-10-8-16(3)5-6-19-10/h10,14H,4-8H2,1-3H3.
What are the key properties of ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 299.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79363751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).