[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone

C12H19N3O2S — CID 66390872

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC(N)c1nc(C(=O)N2CCOCC2(C)C)cs1
InChIInChI=1S/C12H19N3O2S/c1-8(13)10-14-9(6-18-10)11(16)15-4-5-17-7-12(15,2)3/h6,8H,4-5,7,13H2,1-3H3
InChIKeyGYZKAXAPZOIQKB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.41
Rot. Bonds2

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 66390872) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID66390872
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC(N)c1nc(C(=O)N2CCOCC2(C)C)cs1
InChIInChI=1S/C12H19N3O2S/c1-8(13)10-14-9(6-18-10)11(16)15-4-5-17-7-12(15,2)3/h6,8H,4-5,7,13H2,1-3H3
InChIKeyGYZKAXAPZOIQKB-UHFFFAOYSA-N
XLogP1.41
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 66390872) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone is CC(N)c1nc(C(=O)N2CCOCC2(C)C)cs1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is GYZKAXAPZOIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(13)10-14-9(6-18-10)11(16)15-4-5-17-7-12(15,2)3/h6,8H,4-5,7,13H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 269.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 66390872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).