3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one

C9H13NO3S — CID 66472134

IUPAC3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCC1OCCCO1
InChIInChI=1S/C9H13NO3S/c11-9-10(4-7-14-9)3-2-8-12-5-1-6-13-8/h4,7-8H,1-3,5-6H2
InChIKeyLDKPTHNPPYHXNY-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.06
Rot. Bonds3

About 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one

3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 66472134) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one
PubChem CID66472134
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCC1OCCCO1
InChIInChI=1S/C9H13NO3S/c11-9-10(4-7-14-9)3-2-8-12-5-1-6-13-8/h4,7-8H,1-3,5-6H2
InChIKeyLDKPTHNPPYHXNY-UHFFFAOYSA-N
XLogP1.06
TPSA40.46 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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one (CID 66472134) is 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one is O=c1sccn1CCC1OCCCO1.
What is the InChIKey of 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is LDKPTHNPPYHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c11-9-10(4-7-14-9)3-2-8-12-5-1-6-13-8/h4,7-8H,1-3,5-6H2.
What are the key properties of 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one?
3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 215.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 66472134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).