2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone

C9H11NO3S — CID 130604803

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone
SMILESCc1cc(C(=O)CC2OCCO2)sn1
InChIInChI=1S/C9H11NO3S/c1-6-4-8(14-10-6)7(11)5-9-12-2-3-13-9/h4,9H,2-3,5H2,1H3
InChIKeyGYADFMGZPRJILR-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.40
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone

2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone (PubChem CID 130604803) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone
PubChem CID130604803
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone
SMILESCc1cc(C(=O)CC2OCCO2)sn1
InChIInChI=1S/C9H11NO3S/c1-6-4-8(14-10-6)7(11)5-9-12-2-3-13-9/h4,9H,2-3,5H2,1H3
InChIKeyGYADFMGZPRJILR-UHFFFAOYSA-N
XLogP1.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-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 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone (CID 130604803) is 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone is Cc1cc(C(=O)CC2OCCO2)sn1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone?
The InChIKey is GYADFMGZPRJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6-4-8(14-10-6)7(11)5-9-12-2-3-13-9/h4,9H,2-3,5H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone has a molecular weight of 213.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(3-methyl-1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 130604803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).