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

C10H14N2O2S — CID 2740552

IUPAC1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C10H14N2O2S/c1-7-9(8(2)13)15-10(11-7)12-3-5-14-6-4-12/h3-6H2,1-2H3
InChIKeyNHHRDMWJEFRQLG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.49
Rot. Bonds2

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

1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 2740552) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
PubChem CID2740552
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C10H14N2O2S/c1-7-9(8(2)13)15-10(11-7)12-3-5-14-6-4-12/h3-6H2,1-2H3
InChIKeyNHHRDMWJEFRQLG-UHFFFAOYSA-N
XLogP1.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone (CID 2740552) is 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(N2CCOCC2)nc1C.
What is the InChIKey of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is NHHRDMWJEFRQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-9(8(2)13)15-10(11-7)12-3-5-14-6-4-12/h3-6H2,1-2H3.
What are the key properties of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 226.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 2740552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).