4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol

C9H13NO3S — CID 130571239

IUPAC4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol
SMILESCOc1nc(C2(O)CCOCC2)cs1
InChIInChI=1S/C9H13NO3S/c1-12-8-10-7(6-14-8)9(11)2-4-13-5-3-9/h6,11H,2-5H2,1H3
InChIKeyXXSVNQYLCLQQDS-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.15
Rot. Bonds2

About 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol

4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol (PubChem CID 130571239) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol
PubChem CID130571239
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol
SMILESCOc1nc(C2(O)CCOCC2)cs1
InChIInChI=1S/C9H13NO3S/c1-12-8-10-7(6-14-8)9(11)2-4-13-5-3-9/h6,11H,2-5H2,1H3
InChIKeyXXSVNQYLCLQQDS-UHFFFAOYSA-N
XLogP1.15
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol?
The IUPAC name of 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol (CID 130571239) is 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol.
What is the SMILES notation for 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol?
The canonical SMILES for 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol is COc1nc(C2(O)CCOCC2)cs1.
What is the InChIKey of 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol?
The InChIKey is XXSVNQYLCLQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-12-8-10-7(6-14-8)9(11)2-4-13-5-3-9/h6,11H,2-5H2,1H3.
What are the key properties of 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol?
4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol has a molecular weight of 215.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-1,3-thiazol-4-yl)oxan-4-ol is sourced from PubChem (CID 130571239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).