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

C11H17N3O2S — CID 82547942

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
SMILESCC(N)c1nc(CC(=O)N2CCOCC2)cs1
InChIInChI=1S/C11H17N3O2S/c1-8(12)11-13-9(7-17-11)6-10(15)14-2-4-16-5-3-14/h7-8H,2-6,12H2,1H3
InChIKeyMFFOZIQCQOUVOK-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.56
Rot. Bonds3

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

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone (PubChem CID 82547942) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
PubChem CID82547942
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
SMILESCC(N)c1nc(CC(=O)N2CCOCC2)cs1
InChIInChI=1S/C11H17N3O2S/c1-8(12)11-13-9(7-17-11)6-10(15)14-2-4-16-5-3-14/h7-8H,2-6,12H2,1H3
InChIKeyMFFOZIQCQOUVOK-UHFFFAOYSA-N
XLogP0.56
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 82511924
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386953
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 82547847
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone (CID 82547942) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone is CC(N)c1nc(CC(=O)N2CCOCC2)cs1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is MFFOZIQCQOUVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(12)11-13-9(7-17-11)6-10(15)14-2-4-16-5-3-14/h7-8H,2-6,12H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 255.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 82547942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).