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

C9H13NO3S — CID 90303257

IUPAC4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
SMILESCC1(C)OCC(COc2cscn2)O1
InChIInChI=1S/C9H13NO3S/c1-9(2)12-4-7(13-9)3-11-8-5-14-6-10-8/h5-7H,3-4H2,1-2H3
InChIKeyDJORFAXPYNQDGG-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.67
Rot. Bonds3

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

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole (PubChem CID 90303257) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
PubChem CID90303257
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
SMILESCC1(C)OCC(COc2cscn2)O1
InChIInChI=1S/C9H13NO3S/c1-9(2)12-4-7(13-9)3-11-8-5-14-6-10-8/h5-7H,3-4H2,1-2H3
InChIKeyDJORFAXPYNQDGG-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole (CID 90303257) is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole is CC1(C)OCC(COc2cscn2)O1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
The InChIKey is DJORFAXPYNQDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-9(2)12-4-7(13-9)3-11-8-5-14-6-10-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole?
4-[(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 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole is sourced from PubChem (CID 90303257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).