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

C10H15NO2S — CID 130658367

IUPAC2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol
SMILESCC1(C)OCC(Cc2cscn2)C1O
InChIInChI=1S/C10H15NO2S/c1-10(2)9(12)7(4-13-10)3-8-5-14-6-11-8/h5-7,9,12H,3-4H2,1-2H3
InChIKeyWIAMCORDTQSNAH-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.47
Rot. Bonds2

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

2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol (PubChem CID 130658367) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol
PubChem CID130658367
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol
SMILESCC1(C)OCC(Cc2cscn2)C1O
InChIInChI=1S/C10H15NO2S/c1-10(2)9(12)7(4-13-10)3-8-5-14-6-11-8/h5-7,9,12H,3-4H2,1-2H3
InChIKeyWIAMCORDTQSNAH-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol?
The IUPAC name of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol (CID 130658367) is 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol.
What is the SMILES notation for 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol?
The canonical SMILES for 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol is CC1(C)OCC(Cc2cscn2)C1O.
What is the InChIKey of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol?
The InChIKey is WIAMCORDTQSNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2)9(12)7(4-13-10)3-8-5-14-6-11-8/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol?
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol has a molecular weight of 213.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol is sourced from PubChem (CID 130658367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).