1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone

C13H19NO2S — CID 82439059

IUPAC1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C2CCCO2)nc1C(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-8(15)10-11(13(2,3)4)14-12(17-10)9-6-5-7-16-9/h9H,5-7H2,1-4H3
InChIKeyAEDWIBFIEPZEPN-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.49
Rot. Bonds2

About 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone

1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82439059) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID82439059
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C2CCCO2)nc1C(C)(C)C
InChIInChI=1S/C13H19NO2S/c1-8(15)10-11(13(2,3)4)14-12(17-10)9-6-5-7-16-9/h9H,5-7H2,1-4H3
InChIKeyAEDWIBFIEPZEPN-UHFFFAOYSA-N
XLogP3.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone (CID 82439059) is 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C2CCCO2)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is AEDWIBFIEPZEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8(15)10-11(13(2,3)4)14-12(17-10)9-6-5-7-16-9/h9H,5-7H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone?
1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82439059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).