2-(1,3-dioxolan-2-yl)-1,3-thiazole

C6H7NO2S — CID 15205158

IUPAC2-(1,3-dioxolan-2-yl)-1,3-thiazole
SMILESc1csc(C2OCCO2)n1
InChIInChI=1S/C6H7NO2S/c1-4-10-5(7-1)6-8-2-3-9-6/h1,4,6H,2-3H2
InChIKeyOIRJZETZODTGOD-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.19
Rot. Bonds1

About 2-(1,3-dioxolan-2-yl)-1,3-thiazole

2-(1,3-dioxolan-2-yl)-1,3-thiazole (PubChem CID 15205158) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1,3-thiazole
PubChem CID15205158
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(1,3-dioxolan-2-yl)-1,3-thiazole
SMILESc1csc(C2OCCO2)n1
InChIInChI=1S/C6H7NO2S/c1-4-10-5(7-1)6-8-2-3-9-6/h1,4,6H,2-3H2
InChIKeyOIRJZETZODTGOD-UHFFFAOYSA-N
XLogP1.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1,3-thiazole (CID 15205158) is 2-(1,3-dioxolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1,3-thiazole is c1csc(C2OCCO2)n1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1,3-thiazole?
The InChIKey is OIRJZETZODTGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-10-5(7-1)6-8-2-3-9-6/h1,4,6H,2-3H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1,3-thiazole?
2-(1,3-dioxolan-2-yl)-1,3-thiazole has a molecular weight of 157.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 15205158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).