3-(1,3-thiazol-2-yl)oxetan-3-ol

C6H7NO2S — CID 66521762

IUPAC3-(1,3-thiazol-2-yl)oxetan-3-ol
SMILESOC1(c2nccs2)COC1
InChIInChI=1S/C6H7NO2S/c8-6(3-9-4-6)5-7-1-2-10-5/h1-2,8H,3-4H2
InChIKeyXHKXULROAWMQOJ-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.36
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)oxetan-3-ol

3-(1,3-thiazol-2-yl)oxetan-3-ol (PubChem CID 66521762) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)oxetan-3-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)oxetan-3-ol
PubChem CID66521762
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-(1,3-thiazol-2-yl)oxetan-3-ol
SMILESOC1(c2nccs2)COC1
InChIInChI=1S/C6H7NO2S/c8-6(3-9-4-6)5-7-1-2-10-5/h1-2,8H,3-4H2
InChIKeyXHKXULROAWMQOJ-UHFFFAOYSA-N
XLogP0.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Thiazol-2-yl)ethan-1-ol
CID 9989295
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
2-Thiazol-2-yl-propan-2-ol
CID 12992807
2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
2-Fluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 165697449
2-(Oxiran-2-yl)-1,3-thiazole
CID 121598453
4-(Hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one
CID 134846739
2-[(2R)-2-methyloxiran-2-yl]-1,3-thiazole
CID 15853713
1-(1,3-Thiazol-2-yl)ethane-1,2-diol
CID 19593620
2-(1-Hydroxy-2-(methoxymethoxy)ethyl)thiazole
CID 22406940
2-(Thiazol-2-ylmethoxy)ethanol
CID 45121684

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)oxetan-3-ol?
The IUPAC name of 3-(1,3-thiazol-2-yl)oxetan-3-ol (CID 66521762) is 3-(1,3-thiazol-2-yl)oxetan-3-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)oxetan-3-ol?
The canonical SMILES for 3-(1,3-thiazol-2-yl)oxetan-3-ol is OC1(c2nccs2)COC1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)oxetan-3-ol?
The InChIKey is XHKXULROAWMQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c8-6(3-9-4-6)5-7-1-2-10-5/h1-2,8H,3-4H2.
What are the key properties of 3-(1,3-thiazol-2-yl)oxetan-3-ol?
3-(1,3-thiazol-2-yl)oxetan-3-ol has a molecular weight of 157.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)oxetan-3-ol is sourced from PubChem (CID 66521762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).