4-(1,2-thiazol-3-yl)oxan-4-ol

C8H11NO2S — CID 131083972

IUPAC4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESOC1(c2ccsn2)CCOCC1
InChIInChI=1S/C8H11NO2S/c10-8(2-4-11-5-3-8)7-1-6-12-9-7/h1,6,10H,2-5H2
InChIKeyNJISFQDKEFTGRK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.14
Rot. Bonds1

About 4-(1,2-thiazol-3-yl)oxan-4-ol

4-(1,2-thiazol-3-yl)oxan-4-ol (PubChem CID 131083972) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(1,2-thiazol-3-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(1,2-thiazol-3-yl)oxan-4-ol
PubChem CID131083972
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESOC1(c2ccsn2)CCOCC1
InChIInChI=1S/C8H11NO2S/c10-8(2-4-11-5-3-8)7-1-6-12-9-7/h1,6,10H,2-5H2
InChIKeyNJISFQDKEFTGRK-UHFFFAOYSA-N
XLogP1.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
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
6-(1,2-Thiazol-3-yl)-1,4-dioxepan-6-ol
CID 126985767
2-Methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002572
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
2-Methoxy-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127004478
1-Methoxy-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130604800
2,6-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130620480

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-3-yl)oxan-4-ol?
The IUPAC name of 4-(1,2-thiazol-3-yl)oxan-4-ol (CID 131083972) is 4-(1,2-thiazol-3-yl)oxan-4-ol.
What is the SMILES notation for 4-(1,2-thiazol-3-yl)oxan-4-ol?
The canonical SMILES for 4-(1,2-thiazol-3-yl)oxan-4-ol is OC1(c2ccsn2)CCOCC1.
What is the InChIKey of 4-(1,2-thiazol-3-yl)oxan-4-ol?
The InChIKey is NJISFQDKEFTGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-8(2-4-11-5-3-8)7-1-6-12-9-7/h1,6,10H,2-5H2.
What are the key properties of 4-(1,2-thiazol-3-yl)oxan-4-ol?
4-(1,2-thiazol-3-yl)oxan-4-ol has a molecular weight of 185.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-3-yl)oxan-4-ol is sourced from PubChem (CID 131083972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).