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

C9H13NO3S — CID 58513749

IUPAC2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)(c2nccs2)CO1
InChIInChI=1S/C9H13NO3S/c1-8(2)12-5-9(11,6-13-8)7-10-3-4-14-7/h3-4,11H,5-6H2,1-2H3
InChIKeyQHZHDQRBSWKDMF-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.11
Rot. Bonds1

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

2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol (PubChem CID 58513749) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol
PubChem CID58513749
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)(c2nccs2)CO1
InChIInChI=1S/C9H13NO3S/c1-8(2)12-5-9(11,6-13-8)7-10-3-4-14-7/h3-4,11H,5-6H2,1-2H3
InChIKeyQHZHDQRBSWKDMF-UHFFFAOYSA-N
XLogP1.11
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
The IUPAC name of 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol (CID 58513749) is 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol.
What is the SMILES notation for 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
The canonical SMILES for 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol is CC1(C)OCC(O)(c2nccs2)CO1.
What is the InChIKey of 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
The InChIKey is QHZHDQRBSWKDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-8(2)12-5-9(11,6-13-8)7-10-3-4-14-7/h3-4,11H,5-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol?
2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol has a molecular weight of 215.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1,3-thiazol-2-yl)-1,3-dioxan-5-ol is sourced from PubChem (CID 58513749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).