2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

C12H19NO2S — CID 115822495

IUPAC2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2nccs2)C1C
InChIInChI=1S/C12H19NO2S/c1-7-8(2)15-9(3)12(7)10(14)6-11-13-4-5-16-11/h4-5,7-10,12,14H,6H2,1-3H3
InChIKeyCWPMSKUFOSFIHQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.11
Rot. Bonds3

About 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 115822495) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID115822495
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2nccs2)C1C
InChIInChI=1S/C12H19NO2S/c1-7-8(2)15-9(3)12(7)10(14)6-11-13-4-5-16-11/h4-5,7-10,12,14H,6H2,1-3H3
InChIKeyCWPMSKUFOSFIHQ-UHFFFAOYSA-N
XLogP2.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822466
1-cyclohexyl-2-(1,3-thiazol-2-yl)ethanol
CID 79824321
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
CID 164654104
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105115363
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 115822495) is 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2nccs2)C1C.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is CWPMSKUFOSFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-7-8(2)15-9(3)12(7)10(14)6-11-13-4-5-16-11/h4-5,7-10,12,14H,6H2,1-3H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 241.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115822495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).