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

C10H15NO2S — CID 131003196

IUPAC(2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESCCC1OCCC1C(O)c1ccns1
InChIInChI=1S/C10H15NO2S/c1-2-8-7(4-6-13-8)10(12)9-3-5-11-14-9/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyPCTVBLQEKWUBPG-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.99
Rot. Bonds3

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

(2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 131003196) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID131003196
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESCCC1OCCC1C(O)c1ccns1
InChIInChI=1S/C10H15NO2S/c1-2-8-7(4-6-13-8)10(12)9-3-5-11-14-9/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyPCTVBLQEKWUBPG-UHFFFAOYSA-N
XLogP1.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.99
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
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
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
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
2-(1,2-Thiazol-5-yl)cyclohexan-1-ol
CID 130829137
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

Frequently Asked Questions

What is the IUPAC name of (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol (CID 131003196) is (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol is CCC1OCCC1C(O)c1ccns1.
What is the InChIKey of (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is PCTVBLQEKWUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-8-7(4-6-13-8)10(12)9-3-5-11-14-9/h3,5,7-8,10,12H,2,4,6H2,1H3.
What are the key properties of (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol?
(2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 213.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 131003196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).