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

C7H9NO3S — CID 59331528

IUPAC[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2OCCO2)s1
InChIInChI=1S/C7H9NO3S/c9-4-5-3-8-6(12-5)7-10-1-2-11-7/h3,7,9H,1-2,4H2
InChIKeyHWNZVZDKEPLALY-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.68
Rot. Bonds2

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

[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 59331528) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID59331528
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2OCCO2)s1
InChIInChI=1S/C7H9NO3S/c9-4-5-3-8-6(12-5)7-10-1-2-11-7/h3,7,9H,1-2,4H2
InChIKeyHWNZVZDKEPLALY-UHFFFAOYSA-N
XLogP0.68
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol (CID 59331528) is [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(C2OCCO2)s1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is HWNZVZDKEPLALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-4-5-3-8-6(12-5)7-10-1-2-11-7/h3,7,9H,1-2,4H2.
What are the key properties of [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 187.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 59331528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).