3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol

C9H13NO2S — CID 131001013

IUPAC3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol
SMILESCC1COCCC1(O)c1ccns1
InChIInChI=1S/C9H13NO2S/c1-7-6-12-5-3-9(7,11)8-2-4-10-13-8/h2,4,7,11H,3,5-6H2,1H3
InChIKeyTVBMTFWBMTWCAE-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.39
Rot. Bonds1

About 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol

3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol (PubChem CID 131001013) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol.

Molecular Properties

Compound Name3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol
PubChem CID131001013
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol
SMILESCC1COCCC1(O)c1ccns1
InChIInChI=1S/C9H13NO2S/c1-7-6-12-5-3-9(7,11)8-2-4-10-13-8/h2,4,7,11H,3,5-6H2,1H3
InChIKeyTVBMTFWBMTWCAE-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

4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 164659228
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130802936
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
3-Methoxy-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130840880
6-(1,2-Thiazol-5-yl)-1,4-dioxepan-6-ol
CID 130840884
7-Oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-5-yl)methanol
CID 130856150
2,2-Dimethyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130856978
2,5-Dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
CID 130900900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol?
The IUPAC name of 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol (CID 131001013) is 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol.
What is the SMILES notation for 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol?
The canonical SMILES for 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol is CC1COCCC1(O)c1ccns1.
What is the InChIKey of 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol?
The InChIKey is TVBMTFWBMTWCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-6-12-5-3-9(7,11)8-2-4-10-13-8/h2,4,7,11H,3,5-6H2,1H3.
What are the key properties of 3-methyl-4-(1,2-thiazol-5-yl)oxan-4-ol?
3-methyl-4-(1,2-thiazol-5-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-5-yl)oxan-4-ol is sourced from PubChem (CID 131001013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).