1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone

C9H13N3O2S — CID 82378095

IUPAC1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C9H13N3O2S/c1-6(13)7-8(10)11-9(15-7)12-2-4-14-5-3-12/h2-5,10H2,1H3
InChIKeyQQYMLVWFTCORFA-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.76
Rot. Bonds2

About 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone

1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 82378095) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
PubChem CID82378095
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C9H13N3O2S/c1-6(13)7-8(10)11-9(15-7)12-2-4-14-5-3-12/h2-5,10H2,1H3
InChIKeyQQYMLVWFTCORFA-UHFFFAOYSA-N
XLogP0.76
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone (CID 82378095) is 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is QQYMLVWFTCORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6(13)7-8(10)11-9(15-7)12-2-4-14-5-3-12/h2-5,10H2,1H3.
What are the key properties of 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 227.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82378095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).