2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole

C9H13NO3S — CID 10242386

IUPAC2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole
SMILESCC1(C)OC[C@@H](COc2nccs2)O1
InChIInChI=1S/C9H13NO3S/c1-9(2)12-6-7(13-9)5-11-8-10-3-4-14-8/h3-4,7H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyWJRRKIOZIZPGPF-SSDOTTSWSA-N
MW215.27 g/mol
LogP1.67
Rot. Bonds3

About 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole

2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole (PubChem CID 10242386) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole
PubChem CID10242386
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole
SMILESCC1(C)OC[C@@H](COc2nccs2)O1
InChIInChI=1S/C9H13NO3S/c1-9(2)12-6-7(13-9)5-11-8-10-3-4-14-8/h3-4,7H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyWJRRKIOZIZPGPF-SSDOTTSWSA-N
XLogP1.67
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole 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-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole?
The IUPAC name of 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole (CID 10242386) is 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole?
The canonical SMILES for 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole is CC1(C)OC[C@@H](COc2nccs2)O1.
What is the InChIKey of 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole?
The InChIKey is WJRRKIOZIZPGPF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-9(2)12-6-7(13-9)5-11-8-10-3-4-14-8/h3-4,7H,5-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole?
2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole has a molecular weight of 215.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole is sourced from PubChem (CID 10242386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).