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

C9H13NO2S — CID 130925801

IUPAC3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESCC1COCCC1(O)c1ccsn1
InChIInChI=1S/C9H13NO2S/c1-7-6-12-4-3-9(7,11)8-2-5-13-10-8/h2,5,7,11H,3-4,6H2,1H3
InChIKeyVODJJTPGJRHEPE-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.39
Rot. Bonds1

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

3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol (PubChem CID 130925801) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol.

Molecular Properties

Compound Name3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol
PubChem CID130925801
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESCC1COCCC1(O)c1ccsn1
InChIInChI=1S/C9H13NO2S/c1-7-6-12-4-3-9(7,11)8-2-5-13-10-8/h2,5,7,11H,3-4,6H2,1H3
InChIKeyVODJJTPGJRHEPE-UHFFFAOYSA-N
XLogP1.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
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-Ethyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002598
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
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
3-Methyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
CID 130604943
2,6-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130620480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The IUPAC name of 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol (CID 130925801) is 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol.
What is the SMILES notation for 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The canonical SMILES for 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol is CC1COCCC1(O)c1ccsn1.
What is the InChIKey of 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The InChIKey is VODJJTPGJRHEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-6-12-4-3-9(7,11)8-2-5-13-10-8/h2,5,7,11H,3-4,6H2,1H3.
What are the key properties of 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol has a molecular weight of 199.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,2-thiazol-3-yl)oxan-4-ol is sourced from PubChem (CID 130925801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).