3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol

C9H13NO3S — CID 126999979

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol
SMILESCOc1cc(C2(O)CCCOC2)sn1
InChIInChI=1S/C9H13NO3S/c1-12-8-5-7(14-10-8)9(11)3-2-4-13-6-9/h5,11H,2-4,6H2,1H3
InChIKeyCRFMHDBVNFKHGG-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.15
Rot. Bonds2

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

3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol (PubChem CID 126999979) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol
PubChem CID126999979
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol
SMILESCOc1cc(C2(O)CCCOC2)sn1
InChIInChI=1S/C9H13NO3S/c1-12-8-5-7(14-10-8)9(11)3-2-4-13-6-9/h5,11H,2-4,6H2,1H3
InChIKeyCRFMHDBVNFKHGG-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 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol (CID 126999979) is 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol is COc1cc(C2(O)CCCOC2)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol?
The InChIKey is CRFMHDBVNFKHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-12-8-5-7(14-10-8)9(11)3-2-4-13-6-9/h5,11H,2-4,6H2,1H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol?
3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-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 3-(3-methoxy-1,2-thiazol-5-yl)oxan-3-ol is sourced from PubChem (CID 126999979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).