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

C11H15NO2S — CID 105092030

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone
SMILESCc1nc(C(=O)CC2CCOCC2)cs1
InChIInChI=1S/C11H15NO2S/c1-8-12-10(7-15-8)11(13)6-9-2-4-14-5-3-9/h7,9H,2-6H2,1H3
InChIKeyRJFCVRHYAKCWPT-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.45
Rot. Bonds3

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

1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone (PubChem CID 105092030) 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)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone
PubChem CID105092030
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone
SMILESCc1nc(C(=O)CC2CCOCC2)cs1
InChIInChI=1S/C11H15NO2S/c1-8-12-10(7-15-8)11(13)6-9-2-4-14-5-3-9/h7,9H,2-6H2,1H3
InChIKeyRJFCVRHYAKCWPT-UHFFFAOYSA-N
XLogP2.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone (CID 105092030) is 1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone is Cc1nc(C(=O)CC2CCOCC2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is RJFCVRHYAKCWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-12-10(7-15-8)11(13)6-9-2-4-14-5-3-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone?
1-(2-methyl-1,3-thiazol-4-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 225.31 g/mol, XLogP of 2.45, 3 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)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 105092030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).