2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol

C7H9NO3S — CID 67261307

IUPAC2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol
SMILESOC1COC(c2nccs2)OC1
InChIInChI=1S/C7H9NO3S/c9-5-3-10-7(11-4-5)6-8-1-2-12-6/h1-2,5,7,9H,3-4H2
InChIKeyBWVDNGWSGAGXJL-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.55
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol

2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol (PubChem CID 67261307) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol
PubChem CID67261307
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol
SMILESOC1COC(c2nccs2)OC1
InChIInChI=1S/C7H9NO3S/c9-5-3-10-7(11-4-5)6-8-1-2-12-6/h1-2,5,7,9H,3-4H2
InChIKeyBWVDNGWSGAGXJL-UHFFFAOYSA-N
XLogP0.55
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol (CID 67261307) is 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol is OC1COC(c2nccs2)OC1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
The InChIKey is BWVDNGWSGAGXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-5-3-10-7(11-4-5)6-8-1-2-12-6/h1-2,5,7,9H,3-4H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol has a molecular weight of 187.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol is sourced from PubChem (CID 67261307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).