1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one

C11H15NO2S — CID 103986225

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCc1nc(CC(=O)CC2CCOC2)cs1
InChIInChI=1S/C11H15NO2S/c1-8-12-10(7-15-8)5-11(13)4-9-2-3-14-6-9/h7,9H,2-6H2,1H3
InChIKeyRZVDCFNEQGXPOU-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.99
Rot. Bonds4

About 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one

1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986225) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
PubChem CID103986225
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCc1nc(CC(=O)CC2CCOC2)cs1
InChIInChI=1S/C11H15NO2S/c1-8-12-10(7-15-8)5-11(13)4-9-2-3-14-6-9/h7,9H,2-6H2,1H3
InChIKeyRZVDCFNEQGXPOU-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
CID 103986214
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 103920413
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986260
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone
CID 130943651
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750436
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
2-methyl-4-[[4-[[(3S)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 95317374
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one (CID 103986225) is 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one is Cc1nc(CC(=O)CC2CCOC2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is RZVDCFNEQGXPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-12-10(7-15-8)5-11(13)4-9-2-3-14-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one?
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one has a molecular weight of 225.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).