(2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol

C9H13NO2S — CID 131001016

IUPAC(2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESCC1OCCC1C(O)c1ccns1
InChIInChI=1S/C9H13NO2S/c1-6-7(3-5-12-6)9(11)8-2-4-10-13-8/h2,4,6-7,9,11H,3,5H2,1H3
InChIKeyGSEDOMHIEVIWND-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.60
Rot. Bonds2

About (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol

(2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 131001016) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID131001016
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name(2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESCC1OCCC1C(O)c1ccns1
InChIInChI=1S/C9H13NO2S/c1-6-7(3-5-12-6)9(11)8-2-4-10-13-8/h2,4,6-7,9,11H,3,5H2,1H3
InChIKeyGSEDOMHIEVIWND-UHFFFAOYSA-N
XLogP1.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
8-Isothiazol-5-yl-1,4-dioxa-spiro[4.5]decan-8-ol
CID 59361591
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol
CID 156788784
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130802936
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
3-Methoxy-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130840880
3-(1,2-Thiazol-5-yl)cyclopentan-1-ol
CID 130840886
7-Oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-5-yl)methanol
CID 130856150
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295
(2,2-Dimethylcyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130871296
2-(1,3-Dioxolan-2-yl)-1-(1,2-thiazol-5-yl)ethanol
CID 130874794

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol (CID 131001016) is (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol is CC1OCCC1C(O)c1ccns1.
What is the InChIKey of (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is GSEDOMHIEVIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-7(3-5-12-6)9(11)8-2-4-10-13-8/h2,4,6-7,9,11H,3,5H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
(2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 199.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 131001016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).