2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol

C10H15NO2S — CID 115087796

IUPAC2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(C2CCOCC2)n1
InChIInChI=1S/C10H15NO2S/c12-4-1-9-7-14-10(11-9)8-2-5-13-6-3-8/h7-8,12H,1-6H2
InChIKeyZWQSDOVCMHBHNT-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol

2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 115087796) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID115087796
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(C2CCOCC2)n1
InChIInChI=1S/C10H15NO2S/c12-4-1-9-7-14-10(11-9)8-2-5-13-6-3-8/h7-8,12H,1-6H2
InChIKeyZWQSDOVCMHBHNT-UHFFFAOYSA-N
XLogP1.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol (CID 115087796) is 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol is OCCc1csc(C2CCOCC2)n1.
What is the InChIKey of 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is ZWQSDOVCMHBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-4-1-9-7-14-10(11-9)8-2-5-13-6-3-8/h7-8,12H,1-6H2.
What are the key properties of 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol?
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 213.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 115087796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).