3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one

C12H19N3O2S — CID 94279636

IUPAC3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESNCCc1nc(CCC(=O)N2CCOCC2)cs1
InChIInChI=1S/C12H19N3O2S/c13-4-3-11-14-10(9-18-11)1-2-12(16)15-5-7-17-8-6-15/h9H,1-8,13H2
InChIKeyWAYIKCYFXZSEEQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.44
Rot. Bonds5

About 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one

3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 94279636) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID94279636
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESNCCc1nc(CCC(=O)N2CCOCC2)cs1
InChIInChI=1S/C12H19N3O2S/c13-4-3-11-14-10(9-18-11)1-2-12(16)15-5-7-17-8-6-15/h9H,1-8,13H2
InChIKeyWAYIKCYFXZSEEQ-UHFFFAOYSA-N
XLogP0.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 82547566
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-(2-aminoethyl)-N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637855
2-(2-aminoethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66388742
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66391054
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968
2-(2-aminoethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120629089

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one (CID 94279636) is 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one is NCCc1nc(CCC(=O)N2CCOCC2)cs1.
What is the InChIKey of 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WAYIKCYFXZSEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-4-3-11-14-10(9-18-11)1-2-12(16)15-5-7-17-8-6-15/h9H,1-8,13H2.
What are the key properties of 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 269.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 94279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).