1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one

C11H15NO2S — CID 115090785

IUPAC1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(CC2CCCO2)s1
InChIInChI=1S/C11H15NO2S/c1-8(13)5-10-7-12-11(15-10)6-9-3-2-4-14-9/h7,9H,2-6H2,1H3
InChIKeyVAZBQXOUGMUOQL-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one

1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one (PubChem CID 115090785) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
PubChem CID115090785
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(CC2CCCO2)s1
InChIInChI=1S/C11H15NO2S/c1-8(13)5-10-7-12-11(15-10)6-9-3-2-4-14-9/h7,9H,2-6H2,1H3
InChIKeyVAZBQXOUGMUOQL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
3-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 115091042
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839
N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865
1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115090502
2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090950
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
4-tert-butyl-2-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114359333
2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid
CID 117127697
1-[2-(oxolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanone
CID 115083047

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one (CID 115090785) is 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1cnc(CC2CCCO2)s1.
What is the InChIKey of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is VAZBQXOUGMUOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(13)5-10-7-12-11(15-10)6-9-3-2-4-14-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 225.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 115090785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).