4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol

C9H13NO2S — CID 130961448

IUPAC4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
SMILESCC1(C)COCC1(O)c1ccns1
InChIInChI=1S/C9H13NO2S/c1-8(2)5-12-6-9(8,11)7-3-4-10-13-7/h3-4,11H,5-6H2,1-2H3
InChIKeyPFHSLGWUCCPZJT-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.39
Rot. Bonds1

About 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol

4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol (PubChem CID 130961448) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
PubChem CID130961448
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
SMILESCC1(C)COCC1(O)c1ccns1
InChIInChI=1S/C9H13NO2S/c1-8(2)5-12-6-9(8,11)7-3-4-10-13-7/h3-4,11H,5-6H2,1-2H3
InChIKeyPFHSLGWUCCPZJT-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

8-Isothiazol-5-yl-1,4-dioxa-spiro[4.5]decan-8-ol
CID 59361591
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130802936
6-(1,2-Thiazol-5-yl)-1,4-dioxepan-6-ol
CID 130840884
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
3,3-Dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130914175
2-Ethyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 130917848
1-Methoxy-2-(1,2-thiazol-5-yl)propan-2-ol
CID 131001010
3-Methyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 131001013
2-Methyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 131001014
(2-Methyloxolan-3-yl)-(1,2-thiazol-5-yl)methanol
CID 131001016
3-Methyl-2-(1,2-thiazol-5-yl)butan-2-ol
CID 131003194

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The IUPAC name of 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol (CID 130961448) is 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol.
What is the SMILES notation for 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The canonical SMILES for 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol is CC1(C)COCC1(O)c1ccns1.
What is the InChIKey of 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
The InChIKey is PFHSLGWUCCPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-8(2)5-12-6-9(8,11)7-3-4-10-13-7/h3-4,11H,5-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol?
4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-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 4,4-dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol is sourced from PubChem (CID 130961448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).