7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol

C10H13NO2S — CID 130927979

IUPAC7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CC2CCC1O2
InChIInChI=1S/C10H13NO2S/c12-10(8-3-4-14-11-8)7-5-6-1-2-9(7)13-6/h3-4,6-7,9-10,12H,1-2,5H2
InChIKeyBGQLKOCDXGEFTK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.74
Rot. Bonds2

About 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol

7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol (PubChem CID 130927979) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol
PubChem CID130927979
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CC2CCC1O2
InChIInChI=1S/C10H13NO2S/c12-10(8-3-4-14-11-8)7-5-6-1-2-9(7)13-6/h3-4,6-7,9-10,12H,1-2,5H2
InChIKeyBGQLKOCDXGEFTK-UHFFFAOYSA-N
XLogP1.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
2,6-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130620480
(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130715054
(4-Methylcyclohexyl)-(1,2-thiazol-3-yl)methanol
CID 130725484
Oxolan-3-yl(1,2-thiazol-3-yl)methanol
CID 130854896
4-(1,2-Thiazol-3-yl)oxepan-4-ol
CID 130977722
2-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 131020118
(3-Methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol
CID 131057379
(2-Ethyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131140404
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131151214
8-(1,2-Thiazol-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 131155697

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol (CID 130927979) is 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol?
The InChIKey is BGQLKOCDXGEFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(8-3-4-14-11-8)7-5-6-1-2-9(7)13-6/h3-4,6-7,9-10,12H,1-2,5H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol?
7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol has a molecular weight of 211.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130927979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).