4-(1,3-thiazol-5-ylmethyl)oxan-4-ol

C9H13NO2S — CID 112641803

IUPAC4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
SMILESOC1(Cc2cncs2)CCOCC1
InChIInChI=1S/C9H13NO2S/c11-9(1-3-12-4-2-9)5-8-6-10-7-13-8/h6-7,11H,1-5H2
InChIKeyCFQDDNPLJWBZOS-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.23
Rot. Bonds2

About 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol

4-(1,3-thiazol-5-ylmethyl)oxan-4-ol (PubChem CID 112641803) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
PubChem CID112641803
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
SMILESOC1(Cc2cncs2)CCOCC1
InChIInChI=1S/C9H13NO2S/c11-9(1-3-12-4-2-9)5-8-6-10-7-13-8/h6-7,11H,1-5H2
InChIKeyCFQDDNPLJWBZOS-UHFFFAOYSA-N
XLogP1.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
The IUPAC name of 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol (CID 112641803) is 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol.
What is the SMILES notation for 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
The canonical SMILES for 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol is OC1(Cc2cncs2)CCOCC1.
What is the InChIKey of 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
The InChIKey is CFQDDNPLJWBZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-9(1-3-12-4-2-9)5-8-6-10-7-13-8/h6-7,11H,1-5H2.
What are the key properties of 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
4-(1,3-thiazol-5-ylmethyl)oxan-4-ol has a molecular weight of 199.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-5-ylmethyl)oxan-4-ol is sourced from PubChem (CID 112641803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).