2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol

C8H13NO2S — CID 130501344

IUPAC2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol
SMILESCCOC(C)(C)c1nc(O)cs1
InChIInChI=1S/C8H13NO2S/c1-4-11-8(2,3)7-9-6(10)5-12-7/h5,10H,4H2,1-3H3
InChIKeyKNLHZQBYEQYWBH-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol

2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol (PubChem CID 130501344) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol
PubChem CID130501344
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol
SMILESCCOC(C)(C)c1nc(O)cs1
InChIInChI=1S/C8H13NO2S/c1-4-11-8(2,3)7-9-6(10)5-12-7/h5,10H,4H2,1-3H3
InChIKeyKNLHZQBYEQYWBH-UHFFFAOYSA-N
XLogP2.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol (CID 130501344) is 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol is CCOC(C)(C)c1nc(O)cs1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol?
The InChIKey is KNLHZQBYEQYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-11-8(2,3)7-9-6(10)5-12-7/h5,10H,4H2,1-3H3.
What are the key properties of 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol?
2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol has a molecular weight of 187.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).