[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone

C12H19N3O2S — CID 119751429

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2csc(CN)n2)CC(C)O1
InChIInChI=1S/C12H19N3O2S/c1-3-9-6-15(5-8(2)17-9)12(16)10-7-18-11(4-13)14-10/h7-9H,3-6,13H2,1-2H3
InChIKeyDYUJBYJOKPYPDT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.24
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone (PubChem CID 119751429) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
PubChem CID119751429
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2csc(CN)n2)CC(C)O1
InChIInChI=1S/C12H19N3O2S/c1-3-9-6-15(5-8(2)17-9)12(16)10-7-18-11(4-13)14-10/h7-9H,3-6,13H2,1-2H3
InChIKeyDYUJBYJOKPYPDT-UHFFFAOYSA-N
XLogP1.24
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone (CID 119751429) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2csc(CN)n2)CC(C)O1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone?
The InChIKey is DYUJBYJOKPYPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-9-6-15(5-8(2)17-9)12(16)10-7-18-11(4-13)14-10/h7-9H,3-6,13H2,1-2H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone has a molecular weight of 269.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 119751429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).