1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one

C11H16N2O2S — CID 116586355

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
SMILESCc1nc(CC(=O)CC2CNCCO2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-13-9(7-16-8)4-10(14)5-11-6-12-2-3-15-11/h7,11-12H,2-6H2,1H3
InChIKeyWPUPYISZAKAERJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.94
Rot. Bonds4

About 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one

1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one (PubChem CID 116586355) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
PubChem CID116586355
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
SMILESCc1nc(CC(=O)CC2CNCCO2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-13-9(7-16-8)4-10(14)5-11-6-12-2-3-15-11/h7,11-12H,2-6H2,1H3
InChIKeyWPUPYISZAKAERJ-UHFFFAOYSA-N
XLogP0.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(1-methylbenzimidazol-2-yl)-3-morpholin-2-ylpropan-2-one
CID 116586248
ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate
CID 91336985
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
N-(4,6-dimethylpyrimidin-2-yl)-2-morpholin-2-ylacetamide
CID 66433769
4-methyl-1-morpholin-2-ylpent-4-en-2-one
CID 116586358
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one (CID 116586355) is 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one is Cc1nc(CC(=O)CC2CNCCO2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one?
The InChIKey is WPUPYISZAKAERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-13-9(7-16-8)4-10(14)5-11-6-12-2-3-15-11/h7,11-12H,2-6H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one?
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one is sourced from PubChem (CID 116586355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).