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

C9H13NO3S — CID 71400311

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
SMILESCC1(C)OCC(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
InChIKeyWJRRKIOZIZPGPF-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.67
Rot. Bonds3

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

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole (PubChem CID 71400311) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
PubChem CID71400311
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
SMILESCC1(C)OCC(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
InChIKeyWJRRKIOZIZPGPF-UHFFFAOYSA-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

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Related Compounds

2-(2-Methyl-1,3-dioxolan-2-yl)thiazole
CID 11298213
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol
CID 91415398
2-[(4,4-Difluorooxolan-3-yl)oxy]-1,3-thiazole
CID 126954003
1,2-Epoxy-3-(thiazol-2-oxy)-propane
CID 12399817
1-(1,3-Thiazol-2-yloxy)propan-2-ol
CID 20328596
2-Isopropoxythiazole
CID 21334097
2-(3-Methyloxiran-2-yl)oxy-1,3-thiazole
CID 21392638
2-(2,2,4-Trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole
CID 21760656
2-(2-Methoxyethoxy)-1,3-thiazole
CID 45121816
2-(2-Propan-2-yloxyethoxy)-1,3-thiazole
CID 53888354
2-(3,3-Diethoxyprop-1-ynyl)-1,3-thiazole
CID 59125342
4-((2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy)thiazole
CID 90303257

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole (CID 71400311) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole is CC1(C)OCC(COc2nccs2)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
The InChIKey is WJRRKIOZIZPGPF-UHFFFAOYSA-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.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
2-[(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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole is sourced from PubChem (CID 71400311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).