2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol

C10H15NO2S — CID 131091306

IUPAC2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol
SMILESCC1(C)OCCC1(O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-9(2)10(12,3-5-13-9)7-8-11-4-6-14-8/h4,6,12H,3,5,7H2,1-2H3
InChIKeyCWEUFXPTIQRWEP-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.62
Rot. Bonds2

About 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol

2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol (PubChem CID 131091306) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol
PubChem CID131091306
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol
SMILESCC1(C)OCCC1(O)Cc1nccs1
InChIInChI=1S/C10H15NO2S/c1-9(2)10(12,3-5-13-9)7-8-11-4-6-14-8/h4,6,12H,3,5,7H2,1-2H3
InChIKeyCWEUFXPTIQRWEP-UHFFFAOYSA-N
XLogP1.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-Thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 16670582
2-Methyl-3-(1,3-thiazol-2-yl)oxolan-3-ol
CID 18996140
2-(3-Methoxy-2-methyloxolan-3-yl)-1,3-thiazole
CID 18996155
3-(1,3-Thiazol-2-yl)oxan-4-ol
CID 67258700
(3R)-2-methoxy-3-methyl-4-(1,3-thiazol-2-yl)butan-1-ol
CID 145217833
8-(1,3-Thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-OL
CID 74242939
1-Methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol
CID 79823544
4-Methoxy-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823649
4-Methoxy-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823680
1-(Oxolan-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823764
1-Methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79823869
3-Methoxy-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79824021

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
The IUPAC name of 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol (CID 131091306) is 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
The canonical SMILES for 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol is CC1(C)OCCC1(O)Cc1nccs1.
What is the InChIKey of 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
The InChIKey is CWEUFXPTIQRWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-9(2)10(12,3-5-13-9)7-8-11-4-6-14-8/h4,6,12H,3,5,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol has a molecular weight of 213.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol is sourced from PubChem (CID 131091306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).