[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate

C10H13NO5S — CID 90979186

IUPAC[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate
SMILESCCC(O)C(=O)Oc1cnc(C2OCCO2)s1
InChIInChI=1S/C10H13NO5S/c1-2-6(12)9(13)16-7-5-11-8(17-7)10-14-3-4-15-10/h5-6,10,12H,2-4H2,1H3
InChIKeyNIOBIQZNMFUIGV-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.86
Rot. Bonds4

About [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate

[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate (PubChem CID 90979186) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate
PubChem CID90979186
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate
SMILESCCC(O)C(=O)Oc1cnc(C2OCCO2)s1
InChIInChI=1S/C10H13NO5S/c1-2-6(12)9(13)16-7-5-11-8(17-7)10-14-3-4-15-10/h5-6,10,12H,2-4H2,1H3
InChIKeyNIOBIQZNMFUIGV-UHFFFAOYSA-N
XLogP0.86
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate (CID 90979186) is [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate is CCC(O)C(=O)Oc1cnc(C2OCCO2)s1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate?
The InChIKey is NIOBIQZNMFUIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-2-6(12)9(13)16-7-5-11-8(17-7)10-14-3-4-15-10/h5-6,10,12H,2-4H2,1H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate?
[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate has a molecular weight of 259.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl] 2-hydroxybutanoate is sourced from PubChem (CID 90979186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).